Publishing chemical data in public data repository
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PubChem is a public repository for chemical compound data submitted by over 600 sources. It contains over 96 million compounds and bioactivity data. Submitters can upload substance and bioassay data through PubChem Upload in standard formats. An automated pipeline parses and standardizes incoming raw data in various formats for access through the PubChem website and APIs. Springer Nature has contributed over 600,000 compounds and 4 million linked literature articles. MassBank of North America has contributed 77,000 compounds and 200,000 mass spectrometry annotations. PubChem processes submissions to make chemical data openly available to researchers.
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PubChem for drug discovery in the age of big data and artificial intelligence
Presented at the American Chemical Society Middle Atlantic Regional Meeting (MARM) 2021 (June 10, 2021).
==== Abstract ====
With the emergence of the age of big data and artificial intelligence, biomedical research communities have a great interest in exploiting the massive amount of chemical and biological data available in the public domain. PubChem (https://pubchem.ncbi.nlm.nih.gov) is one of the largest sources of publicly available chemical information, with +270 million substance descriptions, +110 million unique compounds, +285 million bioactivity outcomes from more than one million biological assay experiments. PubChem provides a wide range of chemical information, including structure, pharmacology, toxicology, drug target, metabolism, chemical vendors, patents, regulations, clinical trials, and many others. These contents can be accessed interactively through web browsers as well as programmatically using computer scripts. They can also be downloaded in bulk through the PubChem File Transfer Protocol (FTP) site. PubChem data has been used in many studies for developing bioactivity and toxicity prediction models, discovering polypharmacologic (multi-target) ligands, and identifying new macromolecule targets of compounds (for drug-repurposing or off-target side effect prediction). This presentation provides an overview of PubChem data, tools, and services useful for drug discovery.
Assay Development and Drug Repurposing Core
Tom Dexheimer, Ph.D.
Manager, MSU Assay Development and Drug Repurposing Core
Michigan State University
Drug Discovery Interdisciplinary Event May 14, 2015
PubChem: a public chemical information resource for big data chemistry
PubChem is a public resource containing over 100 million unique chemical structures and 268 million bioactivity outcomes from assays. It aggregates data from over 750 sources and contains extensive information on chemical properties, biological activities, and related literature and patents. Users can search and access this data interactively through web interfaces or programmatically. As an example, bioactivity data from PubChem was used to develop predictive models for small molecule interactions with the retinoid X receptor alpha protein, achieving AUC scores over 0.7.
Searching for patent information in PubChem
Presented at the 256th American Chemical Society (ACS) National Meeting in Boston, MA (August 19, 2018).
==== Abstract ====
PubChem (https://pubchem.ncbi.nlm.nih.gov) is a public chemical information resource, containing more than 242 million chemical substance descriptions, 94 million unique compounds, and 234 million bioactivities determined from 1.25 million assay experiments. Importantly, data contribution from multiple sources, including IBM, SureChEMBL, ScripDB, NextMove, and BindingDB, allows PubChem to provide links to patent documents that mention chemicals. Currently, PubChem offers links between about 6.7 million patent documents and more than 20 million unique chemical structures, with over 137 million compound-patent links, covering primarily U.S. patents with some from European, and World Intellectual Property Organization, and Japanese patent documents. This presentation will provide an overview of the patent information in PubChem as well as the best practice for using it.
PubChem for chemical information literacy training
Presented at the American Chemical Society Fall 2021 National Meeting (August 23, 2021; virtual).
==== Abstracts ====
PubChem (https://pubchem.ncbi.nlm.nih.gov) is a public chemical information resource that collects chemical information from 780+ data sources. It is visited by millions of users every month and many of them are young students at academic undergraduate or graduate students at academic institutions. While PubChem has a great potential as an online resource for chemical education, it also has important issues that are not familiar to students and educators, including data accuracy, data provenance, structure standardization, terminologies, etc. In this presentation, various aspects of PubChem as a chemical education resource will be discussed, with a special emphasis on how to help students develop chemical information literacy skills.
Digging out Structures for Repurposing: Non-competitive Intelligence ...
This document summarizes Christopher Southan's presentation on digging through non-competitive intelligence to connect drug code names to structures and related data for drug repurposing opportunities. It finds that only 40-50% of approximately 30,000 drug code names have publicly accessible structures, and an even smaller portion are recorded in PubChem. It outlines Southan's methods for mapping code names to structures through multiple sources and finding associated data in clinical trials, publications, and patents. The conclusion advocates for increased transparency and data sharing to improve opportunities for drug repurposing based on stalled or failed drug candidates.
Toxicological information in PubChem
Presented at the Fall 2020 American Chemical Society (ACS) National Meeting (Virtual) on August 20, 2020.
Sunghwan Kim, Jian Zhang, Paul Thiessen, Asta Gindulyte, Pertti J. Hakkinen & Evan Bolton
National Library of Medicine, National Institutes of Health, Rockville, Maryland, United States
==== Abstract ====
PubChem (https://pubchem.ncbi.nlm.nih.gov) is a public chemical information resource at the U.S. National Institutes of Health. It collects chemical information from 700+ data sources and disseminates the collected data to the public free of charge. Arguably, PubChem contains the largest amount of chemical information available in the public domain, with more than 250 million depositor-provided substance descriptions, 100 million unique chemical structures, and 265 million bioactivity outcomes from one million assays covering around twenty thousand unique protein target sequences.
Included in the many types of content in PubChem is toxicological information about chemicals, e.g., human and animal toxicity, ecotoxicity, exposure limits, exposure symptoms, and antidote & emergency treatment. Notably, a substantial amount of toxicological information from resources formerly offered by the TOXicology data NETwork (TOXNET) is now integrated into PubChem, e.g., the Hazardous Substances Data Bank (HSDB), LactMed, and LiverTox. In addition, PubChem contains a large amount of bioactivity and toxicity screening data that can be used to build toxicity prediction models based on statistical and machine-learning approaches. This presentation provides an overview of PubChem’s toxicological information as well as tools and services that help users exploit this information. It also describes how open data in PubChem can be used to develop prediction models for chemical toxicity.
Exploiting PubChem for Drug Discovery
Presented online at KSEA - Virginia Washington Metro Regional Conference 2020 (VWMRC 2020) (May 9, 2020)
==== Abstract ====
PubChem (https://pubchem.ncbi.nlm.nih.gov) is a popular chemical information resource, visited by millions of unique users per month. It contains chemical data from more than 700 data sources and disseminates these data to the public free of charge. Arguably, it is the largest source of publicly available chemical information, containing more than 250 million depositor-provided substance descriptions, 100 million unique chemical structures, and 260 million bioactivity outcomes from one million assays covering around ten thousand unique protein target sequences. This presentation provides an overview of PubChem’s data, tools, and services useful for drug discovery.
The immense quantity of bioactivity data in PubChem can be used to develop computational models to predict bioactivities of small molecules. While these data are primarily generated from high-throughput screening (HTS), they also include a substantial amount of bioactivity information extracted from peer-reviewed journal articles. In addition, through data integration with other databases, PubChem has a wide range of annotations useful for drug discovery, including pharmacology, toxicology, drug target, metabolism, chemical vendors, scientific articles, patents, and many others.
PubChem supports various types of chemical structure searches, including identity, 2-D and 3-D similarity, substructure, superstructure, and molecular formula. It also provides multiple programmatic access routes, including E-Utilities, Power User Gateway (PUG), PUG-SOAP, PUG-REST, and PUG-View, allowing one to build an automated workflow that takes advantage of information contained in PubChem. In addition, through PubChemRDF, users can integrate PubChem data with their own.
Recommended
PubChem for drug discovery in the age of big data and artificial intelligence
Presented at the American Chemical Society Middle Atlantic Regional Meeting (MARM) 2021 (June 10, 2021).
==== Abstract ====
With the emergence of the age of big data and artificial intelligence, biomedical research communities have a great interest in exploiting the massive amount of chemical and biological data available in the public domain. PubChem (https://pubchem.ncbi.nlm.nih.gov) is one of the largest sources of publicly available chemical information, with +270 million substance descriptions, +110 million unique compounds, +285 million bioactivity outcomes from more than one million biological assay experiments. PubChem provides a wide range of chemical information, including structure, pharmacology, toxicology, drug target, metabolism, chemical vendors, patents, regulations, clinical trials, and many others. These contents can be accessed interactively through web browsers as well as programmatically using computer scripts. They can also be downloaded in bulk through the PubChem File Transfer Protocol (FTP) site. PubChem data has been used in many studies for developing bioactivity and toxicity prediction models, discovering polypharmacologic (multi-target) ligands, and identifying new macromolecule targets of compounds (for drug-repurposing or off-target side effect prediction). This presentation provides an overview of PubChem data, tools, and services useful for drug discovery.
Assay Development and Drug Repurposing Core
Tom Dexheimer, Ph.D.
Manager, MSU Assay Development and Drug Repurposing Core
Michigan State University
Drug Discovery Interdisciplinary Event May 14, 2015
PubChem: a public chemical information resource for big data chemistry
PubChem is a public resource containing over 100 million unique chemical structures and 268 million bioactivity outcomes from assays. It aggregates data from over 750 sources and contains extensive information on chemical properties, biological activities, and related literature and patents. Users can search and access this data interactively through web interfaces or programmatically. As an example, bioactivity data from PubChem was used to develop predictive models for small molecule interactions with the retinoid X receptor alpha protein, achieving AUC scores over 0.7.
Searching for patent information in PubChem
Presented at the 256th American Chemical Society (ACS) National Meeting in Boston, MA (August 19, 2018).
==== Abstract ====
PubChem (https://pubchem.ncbi.nlm.nih.gov) is a public chemical information resource, containing more than 242 million chemical substance descriptions, 94 million unique compounds, and 234 million bioactivities determined from 1.25 million assay experiments. Importantly, data contribution from multiple sources, including IBM, SureChEMBL, ScripDB, NextMove, and BindingDB, allows PubChem to provide links to patent documents that mention chemicals. Currently, PubChem offers links between about 6.7 million patent documents and more than 20 million unique chemical structures, with over 137 million compound-patent links, covering primarily U.S. patents with some from European, and World Intellectual Property Organization, and Japanese patent documents. This presentation will provide an overview of the patent information in PubChem as well as the best practice for using it.
PubChem for chemical information literacy training
Presented at the American Chemical Society Fall 2021 National Meeting (August 23, 2021; virtual).
==== Abstracts ====
PubChem (https://pubchem.ncbi.nlm.nih.gov) is a public chemical information resource that collects chemical information from 780+ data sources. It is visited by millions of users every month and many of them are young students at academic undergraduate or graduate students at academic institutions. While PubChem has a great potential as an online resource for chemical education, it also has important issues that are not familiar to students and educators, including data accuracy, data provenance, structure standardization, terminologies, etc. In this presentation, various aspects of PubChem as a chemical education resource will be discussed, with a special emphasis on how to help students develop chemical information literacy skills.
Digging out Structures for Repurposing: Non-competitive Intelligence ...
This document summarizes Christopher Southan's presentation on digging through non-competitive intelligence to connect drug code names to structures and related data for drug repurposing opportunities. It finds that only 40-50% of approximately 30,000 drug code names have publicly accessible structures, and an even smaller portion are recorded in PubChem. It outlines Southan's methods for mapping code names to structures through multiple sources and finding associated data in clinical trials, publications, and patents. The conclusion advocates for increased transparency and data sharing to improve opportunities for drug repurposing based on stalled or failed drug candidates.
Toxicological information in PubChem
Presented at the Fall 2020 American Chemical Society (ACS) National Meeting (Virtual) on August 20, 2020.
Sunghwan Kim, Jian Zhang, Paul Thiessen, Asta Gindulyte, Pertti J. Hakkinen & Evan Bolton
National Library of Medicine, National Institutes of Health, Rockville, Maryland, United States
==== Abstract ====
PubChem (https://pubchem.ncbi.nlm.nih.gov) is a public chemical information resource at the U.S. National Institutes of Health. It collects chemical information from 700+ data sources and disseminates the collected data to the public free of charge. Arguably, PubChem contains the largest amount of chemical information available in the public domain, with more than 250 million depositor-provided substance descriptions, 100 million unique chemical structures, and 265 million bioactivity outcomes from one million assays covering around twenty thousand unique protein target sequences.
Included in the many types of content in PubChem is toxicological information about chemicals, e.g., human and animal toxicity, ecotoxicity, exposure limits, exposure symptoms, and antidote & emergency treatment. Notably, a substantial amount of toxicological information from resources formerly offered by the TOXicology data NETwork (TOXNET) is now integrated into PubChem, e.g., the Hazardous Substances Data Bank (HSDB), LactMed, and LiverTox. In addition, PubChem contains a large amount of bioactivity and toxicity screening data that can be used to build toxicity prediction models based on statistical and machine-learning approaches. This presentation provides an overview of PubChem’s toxicological information as well as tools and services that help users exploit this information. It also describes how open data in PubChem can be used to develop prediction models for chemical toxicity.
Exploiting PubChem for Drug Discovery
Presented online at KSEA - Virginia Washington Metro Regional Conference 2020 (VWMRC 2020) (May 9, 2020)
==== Abstract ====
PubChem (https://pubchem.ncbi.nlm.nih.gov) is a popular chemical information resource, visited by millions of unique users per month. It contains chemical data from more than 700 data sources and disseminates these data to the public free of charge. Arguably, it is the largest source of publicly available chemical information, containing more than 250 million depositor-provided substance descriptions, 100 million unique chemical structures, and 260 million bioactivity outcomes from one million assays covering around ten thousand unique protein target sequences. This presentation provides an overview of PubChem’s data, tools, and services useful for drug discovery.
The immense quantity of bioactivity data in PubChem can be used to develop computational models to predict bioactivities of small molecules. While these data are primarily generated from high-throughput screening (HTS), they also include a substantial amount of bioactivity information extracted from peer-reviewed journal articles. In addition, through data integration with other databases, PubChem has a wide range of annotations useful for drug discovery, including pharmacology, toxicology, drug target, metabolism, chemical vendors, scientific articles, patents, and many others.
PubChem supports various types of chemical structure searches, including identity, 2-D and 3-D similarity, substructure, superstructure, and molecular formula. It also provides multiple programmatic access routes, including E-Utilities, Power User Gateway (PUG), PUG-SOAP, PUG-REST, and PUG-View, allowing one to build an automated workflow that takes advantage of information contained in PubChem. In addition, through PubChemRDF, users can integrate PubChem data with their own.
PubChem for drug discovery and chemical biology
This document provides an overview of the PubChem database for academic drug discovery and chemical biology. It describes PubChem's large content of over 97 million compounds and 3.4 million with bioactivity results. It highlights drug-related resources in PubChem like ChEMBL and the Guide to Pharmacology. It also demonstrates several use cases, including searching structures extracted from patents, linking between papers and chemistry, and getting probes mapped into PubChem.
When pharmaceutical companies publish large datasets an abundance of riches o...
When pharmaceutical companies publish large datasets an abundance of riches o...US Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
With the recent announcement that GlaxoSmithKline have released a huge tranche of whole cell malaria screening data to the public domain, accompanied by a corresponding publication, this raises some issues for consideration before this exemplar instance becomes a trend. We have examined the data from a high level, by studying the molecular properties, and consider the various alerts presently in use by major pharma companies. We acknowledge the potential value of such data but also raise the issue of the actual value of such datasets released into the public domain. We also suggest approaches that could enhance the value of such datasets to the community and theoretically offer more immediate benefit to the search for leads for other neglected diseases.PubChem as an Emerging Toxicological Information Resource
Presented on October 20, 2020 at the 9th American Society for Cellular and Computational Toxicology (ASCCT) National Meeting.
==== Abstract ====
PubChem (https://pubchem.ncbi.nlm.nih.gov) is a public chemical information resource at the U.S. National Institutes of Health. It collects chemical information from 750+ data sources and disseminates it to the public free of charge. Arguably, PubChem contains the largest amount of chemical information available in the public domain, with more than 265 million depositor-provided substance descriptions, 100 million unique chemical structures, and 270 million bioactivity outcomes from one million assays covering around twenty thousand unique protein target sequences.
Included in the many types of content in PubChem is toxicological information about chemicals, e.g., human and animal toxicity, ecotoxicity, exposure limits, exposure symptoms, and antidote & emergency treatment. Notably, a substantial amount of toxicological information from resources formerly offered by the TOXicology data NETwork (TOXNET) is now integrated into PubChem, e.g., the Hazardous Substances Data Bank (HSDB), Genetic Toxicology Data Bank (Gene-Tox), Chemical Carcinogenesis Research Information System (CCRIS), LactMed, and LiverTox. In addition, PubChem contains a large amount of bioactivity and toxicity screening data that can be used to build toxicity prediction models based on statistical and machine-learning approaches. This presentation provides an overview of PubChem’s toxicological information and describes how open data in PubChem can be used to develop prediction models for chemical toxicity.
Exploring Chemical and Biological Knowledge Spaces with PubChem
My presentation for the Drug Repurposing workshop at the upcoming Bio-IT World Expo.
http://www.bio-itworldexpo.com/Bio-It_Expo_Content.aspx?id=124256
Presentation abstract:
PubChem has a wealth of chemical structure and biological activity information. In conjunction with NCBI’s other resources such as PubMed and GenBank, PubChem is a vast source of information relevant to repurposing not only of established drugs but any compounds with in vivo pharmacology and/or clinical results. The challenge is how to take advantage of this knowledge. The ability to explore not only chemical similarity but relationships between diseases and disease targets has crucial value in repurposing. While focused investigations are already possible within the existing Entrez system, navigation across these linked information spaces can be difficult to do on a large scale with current tools. We are actively developing new infrastructure to support such analyses, and pursuing new methods of exploring inter- and intra-database relationships between chemicals, targets, diseases, and patents. Progress and some future direction in these areas will be presented.
How can you access PubChem programmatically?
Presented at the 255th American Chemical Society (ACS) National Meeting in New Orleans, LA (March. 19, 2018).
Building automated workflows that exploit the vast amount of data contained in PubChem requires programmatic access to the data through application programming interfaces (APIs). PubChem provides several programmatic access routes to its data, including Entrez Utilities (E-Utilities or E-Utils), PubChem Power User Gateway (PUG), PUG-SOAP, PUG-REST, PUG-View, and a REST-ful interface to PubChemRDF. This presentation provides an overview of these programmatic access tools, including recent updates, limitations, usage policies, and best practices.
*References*
(1) PUG-SOAP and PUG-REST: web services for programmatic access to chemical information in PubChem, Nucleic Acids Research, 2015, 43(W1):W605–W611. https://doi.org/10.1093/nar/gkv396
(2) An update on PUG-REST: RESTful interface for programmatic access to PubChem, Nucleic Acids Research, 2018, 46(W1):gky294. https://doi.org/10.1093/nar/gky294
PubChem and its application for cheminformatics education
PubChem is a public chemical database maintained by the U.S. National Institutes of Health containing information on small molecules, lipids, nucleic acids, and other chemical substances. It receives over 5 million unique users per month, many of whom are students. PubChem has potential as an educational resource given its popularity, sustainability, and zero cost to students. PubChem collaborates with academic partners to develop resources like an online cheminformatics course and chemical safety summaries.
Generating Biomedical Hypotheses Using Semantic Web Technologies
With its focus on investigating the nature and basis for the sustained existence of living systems, modern biology has always been a fertile, if not challenging, domain for formal knowledge representation and automated reasoning. Over the past 15 years, hundreds of projects have developed or leveraged ontologies for entity recognition and relation extraction, semantic annotation, data integration, query answering, consistency checking, association mining and other forms of knowledge discovery. In this talk, I will discuss our efforts to build a rich foundational network of ontology-annotated linked data, discover significant biological associations across these data using a set of partially overlapping ontologies, and identify new avenues for drug discovery by applying measures of semantic similarity over phenotypic descriptions. As the portfolio of Semantic Web technologies continue to mature in terms of functionality, scalability and an understanding of how to maximize their value, increasing numbers of biomedical researchers will be strategically poised to pursue increasingly sophisticated KR projects aimed at improving our overall understanding of the capability and behavior of biological systems.
PubChem as a resource for chemical information training
Presented at the 257th American Chemical Society (ACS) National Meeting in Orlando, FL (March 31, 2019). [CINF 13]
==== Abstract ====
Libraries at many large academic institutions provide chemical information training programs for students. However, these programs are based on commercial chemical information resources, which come with non-trivial subscription fees. These fees are often too expensive for small organizations, including many primarily undergraduate institutions (PUIs) and community colleges (CCs). It leads to disparity in access to chemical information as well as learning opportunities among students. This issue may be addressed at least in part by developing free online training programs based on public chemical databases, such as PubChem (https://pubchem.ncbi.nlm.nih.gov). PubChem has a great potential as an online resource for chemical education, but it also has important issues that students and teachers should keep in mind, such as data accuracy, data provenance, structure standardization, terminologies and so on. In this presentation, we will discuss various aspects of PubChem as a resource for chemical information training.
Exploiting PubChem for drug discovery based on natural products
Presented at the 256th American Chemical Society (ACS) National Meeting in Boston, MA (August 19, 2018).
==== Abstract ====
PubChem is one of the largest sources of publicly available chemical information, with more than 242.3 million depositor-provided substance descriptions, 94.7 million unique chemical structures, and 234.8 million bioactivity outcomes from 1.25 million assays covering around ten thousand unique protein target sequences. This presentation provides an overview of PubChem’s data, tools, and services useful for drug discovery based on natural products.
PubChem contains a large amount of bioactivity data, most of which are generated from high-throughput screening (HTS). However, these data also include a substantial amount of bioactivity information extracted from scientific articles published in journals in the chemical biology, medicinal chemistry, and natural product domains, thanks to data contribution by other databases like ChEMBL, Guide to Pharmacology, BindingDB, and PDBbind. In addition, through data integration with other databases such as DrugBank, HSDB, and HMDB, PubChem contains a wide range of annotations useful for drug discovery, including pharmacology, toxicology, drug target, metabolism, chemical vendors, scientific articles, patents, and many others.
PubChem supports various types of chemical structure searches, including identify search, 2-D and 3-D similarity searches, substructure and superstructure searches, molecular formula search. It also provides multiple programmatic access routes, including E-Utilities, Power User Gateway (PUG), PUG-SOAP, PUG-REST, and PUG-View, allowing one to build an automated workflow that takes advantage of information contained in PubChem. In addition, through PubChemRDF, users can integrate PubChem’s data into their own in-house data on a local computing machine.
PubChem LCSS
The document summarizes PubChem's Laboratory Chemical Safety Summary (LCSS) resource. It provides an overview of LCSS, including that it contains safety information for over 120,000 chemicals integrated from multiple sources. Updates to LCSS are described, such as changes to the data format and interface. Methods of programmatically accessing the LCSS data via URLs and FTP are also covered. In summary, PubChem created the LCSS to provide a centralized online resource for chemical safety information.
PubChem: A Public Chemical Information Resource for Big Data Chemistry
A web-seminar jointly organized by KWSE (Korean Woman Scientists & Engineers) and KWiSE (Korean-American Women in Science and Engineering). Presented on July 27, 2021.
De-siloing data and building knowledge graphs outside of drug discovery: Oppo...
De-siloing data and building knowledge graphs outside of drug discovery: Oppo...Frederik van den Broek
Slides from my talk at the ACS CINF Symposium on Expanding cheminformatics to adjacent industries on 20 March 2022 in San Diego & online.
Abstract:
Extracting structured data from literature, patents and documents using various text mining techniques and technologies is an established part of the process of building knowledge repositories for drug discovery. There is an increasing interest from research areas outside of drug discovery to make use of such techniques to de-silo data and build knowledge graphs, e.g. for chemical manufacturing, consumer products, and other fields. This talk will give an overview of the opportunities and challenges faced in building up systems to extract the data to build semantic searches and knowledge graphs.PubChem and Big Data Chemistry
Presented at the Bioinformatics Seminar at the University of Arkansas, Little Rock on November 5, 2021.
PubChem (https://pubchem.ncbi.nlm.nih.gov) is a popular chemical database at the National Library of Medicine, National Institutes of Health. Arguably, PubChem is one of the largest chemical information resources in the public domain, with 111 million unique chemical structures, 1.39 million biological assays, and 292 million biological activity result outcomes. It also contains significant amounts of scientific research data and the inter-relationships between chemicals, proteins, genes, scientific literature, patents, and more. PubChem is a key resource for big data in chemistry and has been used in many studies for developing bioactivity and toxicity prediction models, discovering polypharmacologic (multi-target) ligands, and identifying new macromolecule targets of compounds (for drug-repurposing or off-target side effect prediction). It has also been used for cheminformatics education as well as chemical health and safety training. This presentation provides a high-level overview of PubChem’s data, tools, and services.
US-EPA Chemicals Dashboard – an integrated data hub for environmental science
US-EPA Chemicals Dashboard – an integrated data hub for environmental scienceUS Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
The U.S. Environmental Protection Agency (EPA) Computational Toxicology Program utilizes computational and data-driven approaches that integrate chemistry, exposure and biological data to help characterize potential risks from chemical exposure. The National Center for Computational Toxicology (NCCT) has measured, assembled and delivered an enormous quantity and diversity of data for the environmental sciences, including high-throughput in vitro screening data, in vivo and functional use data, exposure models and chemical databases with associated properties. The CompTox Chemicals Dashboard website provides access to data associated with ~900,000 chemical substances. New data are added on an ongoing basis, including the registration of new and emerging chemicals, data extracted from the literature, chemicals studied in our labs, and data of interest to specific research projects at the EPA. Hazard and exposure data have been assembled from a large number of public databases and as a result the dashboard surfaces hundreds of thousands of data points. Other data includes experimental and predicted physicochemical property data, in vitro bioassay data for over 4000 chemicals and ~1500 assays, and millions of chemical identifiers (names and CAS Registry Numbers) to facilitate searching. Other integrated modules include an interactive read-across module, real-time physicochemical and toxicity endpoint prediction and an integrated search to PubMed. This presentation will provide an overview of the CompTox Chemicals Dashboard and how it has developed into an integrated data hub for environmental data. This abstract does not necessarily represent the views or policies of the U.S. Environmental Protection Agency.Using open bioactivity data for developing machine-learning prediction models...
Presented at the 256th American Chemical Society (ACS) National Meeting in Boston, MA (August 22, 2018).
==== Abstract ====
The retinoid X receptor (RXR) is a nuclear hormone receptor that functions as a transcription factor with roles in development, cell differentiation, metabolism, and cell death. Chemicals that interfere the RXR signaling pathway may cause adverse effects on human health. In this study, open bioactivity data available at PubChem (https://pubchem.ncbi.nlm.nih.gov) were used to develop prediction models for chemical modulators of RXR-alpha, which is a subtype of RXR that plays a role in metabolic signaling pathways, dermal cysts, cardiac development, insulin sensitization, etc. The models were constructed from quantitative high-throughput screening (qHTS) data from the Tox21 project, using various supervised machine learning methods (including support vector machine, random forest, neural network, k-nearest neighbors, decision tree, and naïve Bayes). The performance of the models was evaluated with an external data set containing bioactivity data submitted by ChEMBL and the NCATS Chemical Genomics Center (NCGC). This study showcases how open data in the public domain can be used to develop prediction models for chemical toxicity.
What chemicals constitute the Exposome? Accessing data via the US EPA’s Comp...
What chemicals constitute the Exposome? Accessing data via the US EPA’s Comp...US Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
The CompTox Chemicals Dashboard is an open chemistry resource and web-based application containing data for ~900,000 substances. While it pales in comparison to other online resources containing many tens of millions of chemical substances it represents two decades of effort to aggregate and curate chemical data to deliver access to physicochemical properties and environmental fate and transport data, in vitro and in vivo toxicity data and consumer product data for over 500,000 products. Associated with the chemical substance collections are specific lists based on chemical classes (e.g. polychlorinated biphenyls (PCBs)), usage categories (e.g. flame retardants, pesticides), specific environmental classes of interest (e.g. disinfectant by-products) and regulatory lists (e.g. TSCA, Toxics release inventory data). The underlying database expands daily as a result of the efforts of curators who continue to harvest data from peer-reviewed publications, regulatory documents and relevant online databases. The cheminformatics architecture allows for mapping between parent chemicals and related substances including metabolites and environmental degradants. The dashboard has become a valuable resource in the identification of chemical substances in the environment.
High resolution mass spectrometry (HRMS) and non-targeted analysis (NTA) are of increasing interest in chemical forensics for the identification of emerging contaminants and chemical signatures of interest. Our research using HRMS for non-targeted and suspect screening analyses utilizes Advanced Search capabilities including mass and formula-based searches. A specific type of data mapping in the underpinning database, using “MS-Ready” structures, has proven to be a valuable approach for structure identification that links structures that can be identified via HRMS with related substances in the form of salts, and other multi-component mixtures that are available in commerce. These MS-Ready structures have been used as an input set for computational MS-fragmentation to provide a database against which to search experimental data for spectral matching. This presentation will provide an overview of how CompTox Chemicals Dashboard, the underlying data, and how it supports structure identification and non-targeted analysis in chemical forensics. This abstract does not necessarily represent the views or policies of the U.S. Environmental Protection Agency.
PFAS Chemistry: Range, Complexity, Groupings, and the CompTox Chemicals Dash...
PFAS Chemistry: Range, Complexity, Groupings, and the CompTox Chemicals Dash...US Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
EPA’s National Center for Computational Toxicology is developing automated workflows for curating large databases within the DSSTox project, and providing accurate linkages of data to chemical structures, exposure and hazard information. The data are made available via the EPA’s CompTox Chemicals Dashboard (https://comptox.epa.gov/dashboard), a publicly accessible website providing access to data for ~880,000 chemical substances, the majority of these represented as chemical structures. The web application delivers a wide array of computed and measured physicochemical properties, in vitro high-throughput screening data and in vivo toxicity data, as well as integrated chemical linkages to a growing list of literature, toxicology, and analytical chemistry websites. In addition, several specific search types are in development to directly support the mass spectrometry non-targeted screening community, enabling cohesive workflows to support data generation for the detection and assessment of environmental exposures to chemicals contained within the database. The application provides access to segregated lists of chemicals that are of specific interest to relevant stakeholders, including, for example, scientists interested in Per- & Polyfluoroalkyl Substances (PFAS). Added lists include those sourced from the European Union as well as developed in-house and now containing thousands of chemicals. A procured testing library of hundreds of PFAS chemicals annotated into chemical categories has been integrated into the dashboard with a number of resulting benefits: a searchable database of chemical properties, with hazard and exposure predictions, and links to the open literature. This presentation will provide an overview of the dashboard, the developing library of PFAS chemicals and associated categorization, and new physicochemical property and environmental fate and transport QSAR prediction models developed for these chemicals. The application of the dashboard to support mass spectrometry non-targeted analysis studies for the identification of PFAS chemicals will also be reviewed. This abstract does not necessarily represent the views or policies of the U.S. Environmental Protection Agency.PubChem and Its Applications for Drug Discovery
PubChem is a public repository maintained by the NIH that contains over 243 million substance descriptions, 97 million unique chemical structures, and over 264 million biological activity test results. It serves as both a large data archive and knowledgebase. Programmatic interfaces allow for automated retrieval and integration of PubChem data into virtual screening pipelines. PubChemRDF encodes the data as RDF triples, enabling local storage and integration with other datasets using semantic web technologies.
BioSHaRE Catalogue of tools and services for data sharing
BioSHaRE has developed tools and methods for
i) Data description, presentation and search;
ii) Data harmonisation across databases;
iii) Data analysis across databases;
iv) Contributor recognition;
v) Standardisation of sample handling; and
vi) Ethical, Legal and Social Implications (ELSI).
Download our catalogue for a complete overview of these tools and methods, including how they can be applied, target users, status and accessibility, requirements for usage, and any relevant publications or reference materials.
This catalogue offers a complete overview of these tools and methods, including how they can be applied, target users, status and accessibility, requirements for usage, and any relevant publications or reference materials.
The BioSHaRE approach for epidemiological research across multiple biobanks is described in detail and illustrated by two scientific projects. Furthermore, ‘key’ services are described that are provided by BioSHaRE partners for policy interoperability and data access (link), data harmonisation and federated analyses (link) which are integral to the BioSHaRE approach.
Chemistry Resources Science Teachers
This document provides an overview of several free databases available through the National Institutes of Health for searching chemistry and toxicology information. It describes ChemIDplus, PubChem, TOXNET, and TRI databases and how to search them for chemical and toxicity data, structures, properties and environmental release information.
How to place your research questions or results into the context of the "Lega...
How to place your research questions or results into the context of the "Lega...US Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
I do not have enough information to answer that question. The dashboard contains lists of chemicals from various sources, but does not state the number of chemicals in the Toxics Release Inventory list specifically.Accessing Environmental Chemistry Data via Data Dashboards
Accessing Environmental Chemistry Data via Data Dashboards US Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
As part of its mission the Center for Computational Toxicology and Exposure (CCTE) delivers access to chemicals related data via online Dashboards. The CompTox Chemicals Dashboard (available at https://comptox.epa.gov/dashboard) provides access to >900,000 chemicals and associated data including experimental and predicted property data, in vivo hazard data, in vitro bioactivity data, exposure data, and various other data types. The application provides a set of flexible searches allowing for search, visualization and downloads of the data to the desktop for further interrogation. This presentation will provide an overview of the Dashboard and other proof-of-concept applications that are now publicly available (https://www.epa.gov/chemical-research/cheminformatics). For example, the Hazard Comparison module (shown in the figure below) allows profiling of chemicals based on toxicity types (https://doi.org/10.1007/s10098-019-01795-w). This abstract does not necessarily represent the views or policies of the U.S. Environmental Protection Agency.More Related Content
What's hot
PubChem for drug discovery and chemical biology
This document provides an overview of the PubChem database for academic drug discovery and chemical biology. It describes PubChem's large content of over 97 million compounds and 3.4 million with bioactivity results. It highlights drug-related resources in PubChem like ChEMBL and the Guide to Pharmacology. It also demonstrates several use cases, including searching structures extracted from patents, linking between papers and chemistry, and getting probes mapped into PubChem.
When pharmaceutical companies publish large datasets an abundance of riches o...
When pharmaceutical companies publish large datasets an abundance of riches o...US Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
With the recent announcement that GlaxoSmithKline have released a huge tranche of whole cell malaria screening data to the public domain, accompanied by a corresponding publication, this raises some issues for consideration before this exemplar instance becomes a trend. We have examined the data from a high level, by studying the molecular properties, and consider the various alerts presently in use by major pharma companies. We acknowledge the potential value of such data but also raise the issue of the actual value of such datasets released into the public domain. We also suggest approaches that could enhance the value of such datasets to the community and theoretically offer more immediate benefit to the search for leads for other neglected diseases.PubChem as an Emerging Toxicological Information Resource
Presented on October 20, 2020 at the 9th American Society for Cellular and Computational Toxicology (ASCCT) National Meeting.
==== Abstract ====
PubChem (https://pubchem.ncbi.nlm.nih.gov) is a public chemical information resource at the U.S. National Institutes of Health. It collects chemical information from 750+ data sources and disseminates it to the public free of charge. Arguably, PubChem contains the largest amount of chemical information available in the public domain, with more than 265 million depositor-provided substance descriptions, 100 million unique chemical structures, and 270 million bioactivity outcomes from one million assays covering around twenty thousand unique protein target sequences.
Included in the many types of content in PubChem is toxicological information about chemicals, e.g., human and animal toxicity, ecotoxicity, exposure limits, exposure symptoms, and antidote & emergency treatment. Notably, a substantial amount of toxicological information from resources formerly offered by the TOXicology data NETwork (TOXNET) is now integrated into PubChem, e.g., the Hazardous Substances Data Bank (HSDB), Genetic Toxicology Data Bank (Gene-Tox), Chemical Carcinogenesis Research Information System (CCRIS), LactMed, and LiverTox. In addition, PubChem contains a large amount of bioactivity and toxicity screening data that can be used to build toxicity prediction models based on statistical and machine-learning approaches. This presentation provides an overview of PubChem’s toxicological information and describes how open data in PubChem can be used to develop prediction models for chemical toxicity.
Exploring Chemical and Biological Knowledge Spaces with PubChem
My presentation for the Drug Repurposing workshop at the upcoming Bio-IT World Expo.
http://www.bio-itworldexpo.com/Bio-It_Expo_Content.aspx?id=124256
Presentation abstract:
PubChem has a wealth of chemical structure and biological activity information. In conjunction with NCBI’s other resources such as PubMed and GenBank, PubChem is a vast source of information relevant to repurposing not only of established drugs but any compounds with in vivo pharmacology and/or clinical results. The challenge is how to take advantage of this knowledge. The ability to explore not only chemical similarity but relationships between diseases and disease targets has crucial value in repurposing. While focused investigations are already possible within the existing Entrez system, navigation across these linked information spaces can be difficult to do on a large scale with current tools. We are actively developing new infrastructure to support such analyses, and pursuing new methods of exploring inter- and intra-database relationships between chemicals, targets, diseases, and patents. Progress and some future direction in these areas will be presented.
How can you access PubChem programmatically?
Presented at the 255th American Chemical Society (ACS) National Meeting in New Orleans, LA (March. 19, 2018).
Building automated workflows that exploit the vast amount of data contained in PubChem requires programmatic access to the data through application programming interfaces (APIs). PubChem provides several programmatic access routes to its data, including Entrez Utilities (E-Utilities or E-Utils), PubChem Power User Gateway (PUG), PUG-SOAP, PUG-REST, PUG-View, and a REST-ful interface to PubChemRDF. This presentation provides an overview of these programmatic access tools, including recent updates, limitations, usage policies, and best practices.
*References*
(1) PUG-SOAP and PUG-REST: web services for programmatic access to chemical information in PubChem, Nucleic Acids Research, 2015, 43(W1):W605–W611. https://doi.org/10.1093/nar/gkv396
(2) An update on PUG-REST: RESTful interface for programmatic access to PubChem, Nucleic Acids Research, 2018, 46(W1):gky294. https://doi.org/10.1093/nar/gky294
PubChem and its application for cheminformatics education
PubChem is a public chemical database maintained by the U.S. National Institutes of Health containing information on small molecules, lipids, nucleic acids, and other chemical substances. It receives over 5 million unique users per month, many of whom are students. PubChem has potential as an educational resource given its popularity, sustainability, and zero cost to students. PubChem collaborates with academic partners to develop resources like an online cheminformatics course and chemical safety summaries.
Generating Biomedical Hypotheses Using Semantic Web Technologies
With its focus on investigating the nature and basis for the sustained existence of living systems, modern biology has always been a fertile, if not challenging, domain for formal knowledge representation and automated reasoning. Over the past 15 years, hundreds of projects have developed or leveraged ontologies for entity recognition and relation extraction, semantic annotation, data integration, query answering, consistency checking, association mining and other forms of knowledge discovery. In this talk, I will discuss our efforts to build a rich foundational network of ontology-annotated linked data, discover significant biological associations across these data using a set of partially overlapping ontologies, and identify new avenues for drug discovery by applying measures of semantic similarity over phenotypic descriptions. As the portfolio of Semantic Web technologies continue to mature in terms of functionality, scalability and an understanding of how to maximize their value, increasing numbers of biomedical researchers will be strategically poised to pursue increasingly sophisticated KR projects aimed at improving our overall understanding of the capability and behavior of biological systems.
PubChem as a resource for chemical information training
Presented at the 257th American Chemical Society (ACS) National Meeting in Orlando, FL (March 31, 2019). [CINF 13]
==== Abstract ====
Libraries at many large academic institutions provide chemical information training programs for students. However, these programs are based on commercial chemical information resources, which come with non-trivial subscription fees. These fees are often too expensive for small organizations, including many primarily undergraduate institutions (PUIs) and community colleges (CCs). It leads to disparity in access to chemical information as well as learning opportunities among students. This issue may be addressed at least in part by developing free online training programs based on public chemical databases, such as PubChem (https://pubchem.ncbi.nlm.nih.gov). PubChem has a great potential as an online resource for chemical education, but it also has important issues that students and teachers should keep in mind, such as data accuracy, data provenance, structure standardization, terminologies and so on. In this presentation, we will discuss various aspects of PubChem as a resource for chemical information training.
Exploiting PubChem for drug discovery based on natural products
Presented at the 256th American Chemical Society (ACS) National Meeting in Boston, MA (August 19, 2018).
==== Abstract ====
PubChem is one of the largest sources of publicly available chemical information, with more than 242.3 million depositor-provided substance descriptions, 94.7 million unique chemical structures, and 234.8 million bioactivity outcomes from 1.25 million assays covering around ten thousand unique protein target sequences. This presentation provides an overview of PubChem’s data, tools, and services useful for drug discovery based on natural products.
PubChem contains a large amount of bioactivity data, most of which are generated from high-throughput screening (HTS). However, these data also include a substantial amount of bioactivity information extracted from scientific articles published in journals in the chemical biology, medicinal chemistry, and natural product domains, thanks to data contribution by other databases like ChEMBL, Guide to Pharmacology, BindingDB, and PDBbind. In addition, through data integration with other databases such as DrugBank, HSDB, and HMDB, PubChem contains a wide range of annotations useful for drug discovery, including pharmacology, toxicology, drug target, metabolism, chemical vendors, scientific articles, patents, and many others.
PubChem supports various types of chemical structure searches, including identify search, 2-D and 3-D similarity searches, substructure and superstructure searches, molecular formula search. It also provides multiple programmatic access routes, including E-Utilities, Power User Gateway (PUG), PUG-SOAP, PUG-REST, and PUG-View, allowing one to build an automated workflow that takes advantage of information contained in PubChem. In addition, through PubChemRDF, users can integrate PubChem’s data into their own in-house data on a local computing machine.
PubChem LCSS
The document summarizes PubChem's Laboratory Chemical Safety Summary (LCSS) resource. It provides an overview of LCSS, including that it contains safety information for over 120,000 chemicals integrated from multiple sources. Updates to LCSS are described, such as changes to the data format and interface. Methods of programmatically accessing the LCSS data via URLs and FTP are also covered. In summary, PubChem created the LCSS to provide a centralized online resource for chemical safety information.
PubChem: A Public Chemical Information Resource for Big Data Chemistry
A web-seminar jointly organized by KWSE (Korean Woman Scientists & Engineers) and KWiSE (Korean-American Women in Science and Engineering). Presented on July 27, 2021.
De-siloing data and building knowledge graphs outside of drug discovery: Oppo...
De-siloing data and building knowledge graphs outside of drug discovery: Oppo...Frederik van den Broek
Slides from my talk at the ACS CINF Symposium on Expanding cheminformatics to adjacent industries on 20 March 2022 in San Diego & online.
Abstract:
Extracting structured data from literature, patents and documents using various text mining techniques and technologies is an established part of the process of building knowledge repositories for drug discovery. There is an increasing interest from research areas outside of drug discovery to make use of such techniques to de-silo data and build knowledge graphs, e.g. for chemical manufacturing, consumer products, and other fields. This talk will give an overview of the opportunities and challenges faced in building up systems to extract the data to build semantic searches and knowledge graphs.PubChem and Big Data Chemistry
Presented at the Bioinformatics Seminar at the University of Arkansas, Little Rock on November 5, 2021.
PubChem (https://pubchem.ncbi.nlm.nih.gov) is a popular chemical database at the National Library of Medicine, National Institutes of Health. Arguably, PubChem is one of the largest chemical information resources in the public domain, with 111 million unique chemical structures, 1.39 million biological assays, and 292 million biological activity result outcomes. It also contains significant amounts of scientific research data and the inter-relationships between chemicals, proteins, genes, scientific literature, patents, and more. PubChem is a key resource for big data in chemistry and has been used in many studies for developing bioactivity and toxicity prediction models, discovering polypharmacologic (multi-target) ligands, and identifying new macromolecule targets of compounds (for drug-repurposing or off-target side effect prediction). It has also been used for cheminformatics education as well as chemical health and safety training. This presentation provides a high-level overview of PubChem’s data, tools, and services.
US-EPA Chemicals Dashboard – an integrated data hub for environmental science
US-EPA Chemicals Dashboard – an integrated data hub for environmental scienceUS Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
The U.S. Environmental Protection Agency (EPA) Computational Toxicology Program utilizes computational and data-driven approaches that integrate chemistry, exposure and biological data to help characterize potential risks from chemical exposure. The National Center for Computational Toxicology (NCCT) has measured, assembled and delivered an enormous quantity and diversity of data for the environmental sciences, including high-throughput in vitro screening data, in vivo and functional use data, exposure models and chemical databases with associated properties. The CompTox Chemicals Dashboard website provides access to data associated with ~900,000 chemical substances. New data are added on an ongoing basis, including the registration of new and emerging chemicals, data extracted from the literature, chemicals studied in our labs, and data of interest to specific research projects at the EPA. Hazard and exposure data have been assembled from a large number of public databases and as a result the dashboard surfaces hundreds of thousands of data points. Other data includes experimental and predicted physicochemical property data, in vitro bioassay data for over 4000 chemicals and ~1500 assays, and millions of chemical identifiers (names and CAS Registry Numbers) to facilitate searching. Other integrated modules include an interactive read-across module, real-time physicochemical and toxicity endpoint prediction and an integrated search to PubMed. This presentation will provide an overview of the CompTox Chemicals Dashboard and how it has developed into an integrated data hub for environmental data. This abstract does not necessarily represent the views or policies of the U.S. Environmental Protection Agency.Using open bioactivity data for developing machine-learning prediction models...
Presented at the 256th American Chemical Society (ACS) National Meeting in Boston, MA (August 22, 2018).
==== Abstract ====
The retinoid X receptor (RXR) is a nuclear hormone receptor that functions as a transcription factor with roles in development, cell differentiation, metabolism, and cell death. Chemicals that interfere the RXR signaling pathway may cause adverse effects on human health. In this study, open bioactivity data available at PubChem (https://pubchem.ncbi.nlm.nih.gov) were used to develop prediction models for chemical modulators of RXR-alpha, which is a subtype of RXR that plays a role in metabolic signaling pathways, dermal cysts, cardiac development, insulin sensitization, etc. The models were constructed from quantitative high-throughput screening (qHTS) data from the Tox21 project, using various supervised machine learning methods (including support vector machine, random forest, neural network, k-nearest neighbors, decision tree, and naïve Bayes). The performance of the models was evaluated with an external data set containing bioactivity data submitted by ChEMBL and the NCATS Chemical Genomics Center (NCGC). This study showcases how open data in the public domain can be used to develop prediction models for chemical toxicity.
What chemicals constitute the Exposome? Accessing data via the US EPA’s Comp...
What chemicals constitute the Exposome? Accessing data via the US EPA’s Comp...US Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
The CompTox Chemicals Dashboard is an open chemistry resource and web-based application containing data for ~900,000 substances. While it pales in comparison to other online resources containing many tens of millions of chemical substances it represents two decades of effort to aggregate and curate chemical data to deliver access to physicochemical properties and environmental fate and transport data, in vitro and in vivo toxicity data and consumer product data for over 500,000 products. Associated with the chemical substance collections are specific lists based on chemical classes (e.g. polychlorinated biphenyls (PCBs)), usage categories (e.g. flame retardants, pesticides), specific environmental classes of interest (e.g. disinfectant by-products) and regulatory lists (e.g. TSCA, Toxics release inventory data). The underlying database expands daily as a result of the efforts of curators who continue to harvest data from peer-reviewed publications, regulatory documents and relevant online databases. The cheminformatics architecture allows for mapping between parent chemicals and related substances including metabolites and environmental degradants. The dashboard has become a valuable resource in the identification of chemical substances in the environment.
High resolution mass spectrometry (HRMS) and non-targeted analysis (NTA) are of increasing interest in chemical forensics for the identification of emerging contaminants and chemical signatures of interest. Our research using HRMS for non-targeted and suspect screening analyses utilizes Advanced Search capabilities including mass and formula-based searches. A specific type of data mapping in the underpinning database, using “MS-Ready” structures, has proven to be a valuable approach for structure identification that links structures that can be identified via HRMS with related substances in the form of salts, and other multi-component mixtures that are available in commerce. These MS-Ready structures have been used as an input set for computational MS-fragmentation to provide a database against which to search experimental data for spectral matching. This presentation will provide an overview of how CompTox Chemicals Dashboard, the underlying data, and how it supports structure identification and non-targeted analysis in chemical forensics. This abstract does not necessarily represent the views or policies of the U.S. Environmental Protection Agency.
PFAS Chemistry: Range, Complexity, Groupings, and the CompTox Chemicals Dash...
PFAS Chemistry: Range, Complexity, Groupings, and the CompTox Chemicals Dash...US Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
EPA’s National Center for Computational Toxicology is developing automated workflows for curating large databases within the DSSTox project, and providing accurate linkages of data to chemical structures, exposure and hazard information. The data are made available via the EPA’s CompTox Chemicals Dashboard (https://comptox.epa.gov/dashboard), a publicly accessible website providing access to data for ~880,000 chemical substances, the majority of these represented as chemical structures. The web application delivers a wide array of computed and measured physicochemical properties, in vitro high-throughput screening data and in vivo toxicity data, as well as integrated chemical linkages to a growing list of literature, toxicology, and analytical chemistry websites. In addition, several specific search types are in development to directly support the mass spectrometry non-targeted screening community, enabling cohesive workflows to support data generation for the detection and assessment of environmental exposures to chemicals contained within the database. The application provides access to segregated lists of chemicals that are of specific interest to relevant stakeholders, including, for example, scientists interested in Per- & Polyfluoroalkyl Substances (PFAS). Added lists include those sourced from the European Union as well as developed in-house and now containing thousands of chemicals. A procured testing library of hundreds of PFAS chemicals annotated into chemical categories has been integrated into the dashboard with a number of resulting benefits: a searchable database of chemical properties, with hazard and exposure predictions, and links to the open literature. This presentation will provide an overview of the dashboard, the developing library of PFAS chemicals and associated categorization, and new physicochemical property and environmental fate and transport QSAR prediction models developed for these chemicals. The application of the dashboard to support mass spectrometry non-targeted analysis studies for the identification of PFAS chemicals will also be reviewed. This abstract does not necessarily represent the views or policies of the U.S. Environmental Protection Agency.PubChem and Its Applications for Drug Discovery
PubChem is a public repository maintained by the NIH that contains over 243 million substance descriptions, 97 million unique chemical structures, and over 264 million biological activity test results. It serves as both a large data archive and knowledgebase. Programmatic interfaces allow for automated retrieval and integration of PubChem data into virtual screening pipelines. PubChemRDF encodes the data as RDF triples, enabling local storage and integration with other datasets using semantic web technologies.
BioSHaRE Catalogue of tools and services for data sharing
BioSHaRE has developed tools and methods for
i) Data description, presentation and search;
ii) Data harmonisation across databases;
iii) Data analysis across databases;
iv) Contributor recognition;
v) Standardisation of sample handling; and
vi) Ethical, Legal and Social Implications (ELSI).
Download our catalogue for a complete overview of these tools and methods, including how they can be applied, target users, status and accessibility, requirements for usage, and any relevant publications or reference materials.
This catalogue offers a complete overview of these tools and methods, including how they can be applied, target users, status and accessibility, requirements for usage, and any relevant publications or reference materials.
The BioSHaRE approach for epidemiological research across multiple biobanks is described in detail and illustrated by two scientific projects. Furthermore, ‘key’ services are described that are provided by BioSHaRE partners for policy interoperability and data access (link), data harmonisation and federated analyses (link) which are integral to the BioSHaRE approach.
Chemistry Resources Science Teachers
This document provides an overview of several free databases available through the National Institutes of Health for searching chemistry and toxicology information. It describes ChemIDplus, PubChem, TOXNET, and TRI databases and how to search them for chemical and toxicity data, structures, properties and environmental release information.
What's hot (20)
When pharmaceutical companies publish large datasets an abundance of riches o...
When pharmaceutical companies publish large datasets an abundance of riches o...
PubChem as an Emerging Toxicological Information Resource
PubChem as an Emerging Toxicological Information Resource
Exploring Chemical and Biological Knowledge Spaces with PubChem
Exploring Chemical and Biological Knowledge Spaces with PubChem
PubChem and its application for cheminformatics education
PubChem and its application for cheminformatics education
Generating Biomedical Hypotheses Using Semantic Web Technologies
Generating Biomedical Hypotheses Using Semantic Web Technologies
PubChem as a resource for chemical information training
PubChem as a resource for chemical information training
Exploiting PubChem for drug discovery based on natural products
Exploiting PubChem for drug discovery based on natural products
PubChem: A Public Chemical Information Resource for Big Data Chemistry
PubChem: A Public Chemical Information Resource for Big Data Chemistry
De-siloing data and building knowledge graphs outside of drug discovery: Oppo...
De-siloing data and building knowledge graphs outside of drug discovery: Oppo...
US-EPA Chemicals Dashboard – an integrated data hub for environmental science
US-EPA Chemicals Dashboard – an integrated data hub for environmental science
Using open bioactivity data for developing machine-learning prediction models...
Using open bioactivity data for developing machine-learning prediction models...
What chemicals constitute the Exposome? Accessing data via the US EPA’s Comp...
What chemicals constitute the Exposome? Accessing data via the US EPA’s Comp...
PFAS Chemistry: Range, Complexity, Groupings, and the CompTox Chemicals Dash...
PFAS Chemistry: Range, Complexity, Groupings, and the CompTox Chemicals Dash...
BioSHaRE Catalogue of tools and services for data sharing
BioSHaRE Catalogue of tools and services for data sharing
Similar to Publishing chemical data in public data repository
How to place your research questions or results into the context of the "Lega...
How to place your research questions or results into the context of the "Lega...US Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
I do not have enough information to answer that question. The dashboard contains lists of chemicals from various sources, but does not state the number of chemicals in the Toxics Release Inventory list specifically.Accessing Environmental Chemistry Data via Data Dashboards
Accessing Environmental Chemistry Data via Data Dashboards US Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
As part of its mission the Center for Computational Toxicology and Exposure (CCTE) delivers access to chemicals related data via online Dashboards. The CompTox Chemicals Dashboard (available at https://comptox.epa.gov/dashboard) provides access to >900,000 chemicals and associated data including experimental and predicted property data, in vivo hazard data, in vitro bioactivity data, exposure data, and various other data types. The application provides a set of flexible searches allowing for search, visualization and downloads of the data to the desktop for further interrogation. This presentation will provide an overview of the Dashboard and other proof-of-concept applications that are now publicly available (https://www.epa.gov/chemical-research/cheminformatics). For example, the Hazard Comparison module (shown in the figure below) allows profiling of chemicals based on toxicity types (https://doi.org/10.1007/s10098-019-01795-w). This abstract does not necessarily represent the views or policies of the U.S. Environmental Protection Agency.Cheminformatics Support for MS Supporting Exposomics
Cheminformatics Support for MS Supporting ExposomicsUS Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
A presentation given at the 5th Metabolomics of North America webinar on September 8th 2023. Provides an overview of the cheminformatics support provided by the DSSTox database, CompTox Chemicals Dashboard and multiple other web-based applications in development Delivering chemical-associated data via EPA web applications
Delivering chemical-associated data via EPA web applicationsUS Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
This presentation was given at the conference: "Cheminformatics Resources of U.S. Governmental Organizations" and focuses on the CompTox Chemicals Dashboard and the sharing of our data https://www.fda.gov/news-events/fda-meetings-conferences-and-workshops/cheminformatics-resources-us-governmental-organizations-05092022#event-information Delivering web-based access to data and algorithms to support computational t...
Delivering web-based access to data and algorithms to support computational t...US Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
The US-EPA National Center for Computational Toxicity (NCCT) has been generating data and building software applications and web-based chemistry databases for over a decade. During this period the center has analyzed thousands of chemicals in hundreds of bioassays, has researched high-throughput physicochemical property measurements and investigated approaches for high throughput toxicokinetics. NCCT continues to expand the battery of assays and number of chemicals under examination and is now investigating the application of transcriptomics. In parallel to these experimental efforts, and to support our efforts to develop new approaches to prioritize chemicals based on potential human health risks, we aggregate and curate data streams of various types to support prediction models. Over the past few years some of the data have been delivered through prototype web-based “dashboards” for public consumption. The latest of these web applications, the CompTox Chemicals Dashboard, is an integrated access point to obtain information associated with 875,000 chemical substances and providing experimental and predicted data of various types. This includes physicochemical and fate and transport data, bioactivity data, exposure data and integrated literature searches. Real-time predictions and generalized read-across are possible and advanced search capabilities are available to support EPA-related projects including mass spectrometry non-targeted analysis. This presentation will provide an overview of the CompTox Chemicals Dashboard and the its role in delivering access to the outputs of NCCT. This abstract does not necessarily represent the views or policies of the U.S. Environmental Protection Agency.Introduction to Cheminformatics: Accessing data through the CompTox Chemicals...
Introduction to Cheminformatics: Accessing data through the CompTox Chemicals...US Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
This document provides an overview of the CompTox Chemicals Dashboard, which is a centralized hub for environmental chemical data developed by the US EPA. The dashboard contains data on over 880,000 chemical substances, integrating property data, hazard data, exposure data, and in vitro bioactivity data. It allows users to search for chemicals, obtain experimental and predicted data, perform batch searches on lists of chemicals, and access real-time prediction tools and links to external data sources. The dashboard is built on a cheminformatics foundation and aims to improve the efficiency of chemical risk assessment through consolidated access to relevant chemical information.Cheminformatics tools and chemistry data underpinning mass spectrometry analy...
Cheminformatics tools and chemistry data underpinning mass spectrometry analy...US Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
Mass spectrometry analyses at the US-EPA, especially non-targeted analysis studies, are highly dependent on the cheminformatics efforts which have been underway within the agency for almost a decade. These research efforts have resulted in a rich data infrastructure based on the DSSTox database, data integration approaches based on a structure standardization approach to produce “MS-ready” structures, and a number of supporting data types to facilitate ranking of non-targeted analysis candidates. This presentation will provide an overview of all tools in development and the integrated nature of the applications based on the underlying chemistry data. This includes the development of the underlying chemistry database of >1.2 million chemical substances (DSSTox), approaches to structure standardization to facilitate structure-substance mapping, development of a spectral database of >150,000 spectra for >25,000 chemicals, a database of >3000 analytical methods, prediction models for LCMS amenability, and an application for the profiling of toxicity hazards for batches of chemical substances. This abstract does not necessarily represent the views or policies of the U.S. Environmental Protection Agency.Data delivery from the US-EPA Center for Computational Toxicology and Exposur...
Data delivery from the US-EPA Center for Computational Toxicology and Exposur...US Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
In recent years, the growth of scientific data and the increasing need for data sharing and collaboration in the field of environmental chemistry has led to the creation of various software and databases that facilitate research and development into the safety and toxicity of chemicals. The US-EPA Center for Computational Toxicology and Exposure has been developing software and databases that have served the chemistry community for many years. Several web-based software applications have been developed at the US-EPA and made available to the community to provide access to information regarding mycotoxins. This includes related structures, experimental and predicted properties, hazard data and mass spectrometry analytical data and methods. While the primary software application from the Center is the CompTox Chemicals Dashboard almost a dozen proof-of-concept applications have been built serving various capabilities. The publicly accessible Cheminformatics Modules (https://www.epa.gov/chemical-research/cheminformatics) provides access to modules to allow for hazard comparison for sets of chemicals, structure-substructure-similarity searching and batch QSAR prediction of both physicochemical and toxicity endpoints. This presentation will provide an overview of all tools in development that provide access to mycotoxin related data and the integrated nature of the applications based on the underlying chemistry data set. This abstract does not necessarily represent the views or policies of the U.S. Environmental Protection Agency.Integrating Mass Spectrometry Non-Targeted Analysis and Computational Toxico...
Integrating Mass Spectrometry Non-Targeted Analysis and Computational Toxico...US Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
The document discusses the EPA's CompTox Chemicals Dashboard, which provides a centralized location for environmental chemical data to support decision making. The dashboard contains data on over 906k chemicals, including chemistry, exposure, hazard and dosimetry data as well as predictive models. Key features include detailed chemical pages, experimental and predicted data, literature searching capabilities, and mass and formula searching including a batch search tool. Future improvements include adding predicted mass spectra, expanding extractable and leachable chemical lists, and collaborating with NIST to incorporate additional datasets.US-EPA Chemicals Dashboard – an integrated data hub for environmental science
US-EPA Chemicals Dashboard – an integrated data hub for environmental scienceUS Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
The US-EPA Chemicals Dashboard is an integrated data hub providing centralized access to environmental chemistry data to support EPA and partner decision making. It contains nearly 900,000 chemical substances with experimental and predicted physical/chemical properties, hazard, exposure, and toxicity data. Users can perform various search types including basic searches by chemical name/identifier, structure-based searches, and batch searches for lists of chemicals. Detailed chemical pages display curated data from sources like ToxCast/Tox21 along with linked analogous chemicals and real-time predictive models. The goal is to improve efficiency in chemical risk assessment through easy access to this centralized chemical data resource.Accessing Environmental Chemistry Data via Data Dashboards and Applications t...
Accessing Environmental Chemistry Data via Data Dashboards and Applications t...US Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
The document summarizes a presentation about accessing environmental chemistry data through data dashboards and applications to mass spectrometry non-targeted analysis. It introduces the CompTox Chemicals Dashboard, which provides data on over 1.2 million chemicals. It describes how the dashboard supports mass spectrometry analysis and efforts to build databases of analytical methods and experimental spectra to help with identification. Sources of data and ongoing work to curate additional documents and spectra are also summarized.Accessing Environmental Chemistry Data via Data Dashboards
Accessing Environmental Chemistry Data via Data DashboardsUS Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
Presentation given at the Federal Environment Symposium on March 28th 2022.
As part of its mission the Center for Computational Toxicology and Exposure (CCTE) delivers access to chemicals related data via online Dashboards. The CompTox Chemicals Dashboard (available at https://comptox.epa.gov/dashboard) provides access to >900,000 chemicals and associated data including experimental and predicted property data, in vivo hazard data, in vitro bioactivity data, exposure data, and various other data types. The application provides a set of flexible searches allowing for search, visualization and downloads of the data to the desktop for further interrogation. This presentation will provide an overview of the Dashboard and other proof-of-concept applications. For example, the Hazard Comparison Dashboard has a module which allows profiling of chemicals based on toxicity types (https://doi.org/10.1007/s10098-019-01795-w). This presentation will also introduce a number of proof-of-concept modules in development. This abstract does not necessarily represent the views or policies of the U.S. Environmental Protection Agency.The EPA Comptox Chemicals Dashboard as a Data Integration Hub for Environment...
The EPA Comptox Chemicals Dashboard as a Data Integration Hub for Environment...US Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
The U.S. Environmental Protection Agency (EPA) Computational Toxicology Program integrates advances in biology, chemistry, and computer science to help prioritize chemicals for further research based on potential human health risks. This involves computational and data-driven approaches that integrate chemistry, exposure and biological data. The National Center for Computational Toxicology (NCCT) has measured, assembled and delivered an enormous quantity and diversity of data for the environmental sciences, including high-throughput in vitro screening data, in vivo and functional use data, exposure models and chemical databases with associated properties. The CompTox Chemicals Dashboard is a web-based application providing access to data associated with ~875,000 chemical substances. New data are continuously added to the database on an ongoing basis, along with registration of new and emerging chemicals. This includes data extracted from the literature, identified by our analytical labs, and otherwise of interest to support specific research projects to the agency. By adding these data, with their associated chemical identifiers (names and CAS Registry Numbers), the dashboard uses linking approaches to allow for automated searching of PubMed, Google Scholar and an array of public databases. This presentation will provide an overview of the CompTox Chemicals Dashboard, how it has developed into an integrated data hub for environmental data, and how it can be used for the analysis of emerging chemicals in terms of sourcing related chemicals of interest, and deriving read-across as well as QSAR predictions in real time. This abstract does not necessarily represent the views or policies of the U.S. Environmental Protection Agency.Delivering The Benefits of Chemical-Biological Integration in Computational T...
Delivering The Benefits of Chemical-Biological Integration in Computational T...US Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
Researchers at EPA’s National Center for Computational Toxicology integrate advances in biology, chemistry, and computer science to examine the toxicity of chemicals and help prioritize chemicals for further research based on potential human health risks. The goal of this research program is to quickly evaluate thousands of chemicals, but at a much reduced cost and shorter time frame relative to traditional approaches. The data generated by the Center includes characterization of thousands of chemicals across hundreds of high-throughput screening assays, consumer use and production information, pharmacokinetic properties, literature data, physical-chemical properties as well as the predictive computational modeling of toxicity and exposure. We have developed a number of databases and applications to deliver the data to the public, academic community, industry stakeholders, and regulators. This presentation will provide an overview of our work to develop an architecture that integrates diverse large-scale data from the chemical and biological domains, our approaches to disseminate these data, and the delivery of models supporting predictive computational toxicology. In particular, this presentation will review our new publicly-accessible CompTox Dashboard as the first application built on our newly developed architecture. This abstract does not reflect U.S. EPA policy. 2016 ACS Semantic Approaches for Biochemical Knowledge Discovery
A presentation to the American Chemical Society in the asession for Chemistry, Data, & the Semantic Web: An Important Triple to Advance Science:
Success in decision making data relevance curation
Success in decision making data relevance curationUS Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
This presentation was given at the ToxForum 2023 Winter Meeting in the session regarding Life Cycle Impact Assessment: LCIAs are increasingly being utilized within Life Cycle Assessments (LCA) to attempt to quantify impacts to human health, among other impacts, and ultimately compare products or processes. This session will provide the audience with an overview of LCIA, specifically outlining how toxicology data are utilized in LCIA human health impact calculations. Further, our speakers will delve into the nuances related to the interpretation of LCIA human health outputs and how they compare to information obtained via a risk assessment (RA) approach. Toxicology data are key to these newly emerging efforts to characterize total human health impact. Therefore, panelists will be asked to consider new trends in toxicology, data sources, and or approaches that may help to better inform a calculation of human health impact along with appropriate domains of applicability fostering a discussion relevant to regulators, academics and those in application industries. A chemistry data repository to serve them all
A chemistry data repository to serve them allUS Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
Over the past five years the Royal Society of Chemistry has become world renowned for its public domain compound database that integrates chemical structures with online resources and available data. ChemSpider regularly serves over 50,000 users per day who are seeking chemistry related data. In parallel we have used ChemSpider and available software services to underpin a number of grant-based projects that we have been involved with: Open PHACTS – a semantic web project integrating chemistry and biology data, PharmaSea – seeking out new natural products from the ocean and the National Chemical Database Service for the United Kingdom. We are presently developing a new architecture that will offer broader scope in terms of the types of chemistry data that can be hosted. This presentation will provide an overview of our Cheminformatics activities at RSC, the development of a new architecture for a data repository that will underpin a global chemistry network, and the challenges ahead, as well as our activities in releasing software and data to the chemistry community. Applications of the US EPA’s CompTox Chemistry Dashboard to support structure...
Applications of the US EPA’s CompTox Chemistry Dashboard to support structure...US Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
High resolution mass spectrometry (HRMS) and non-targeted analysis (NTA) are of increasing interest in chemical forensics for the identification of emerging contaminants and chemical signatures of interest. At the US Environmental Protection Agency, our research using HRMS for non-targeted and suspect screening analyses utilizes databases and cheminformatics approaches that are applicable to chemical forensics. The CompTox Chemicals Dashboard is an open chemistry resource and web-based application containing data for ~900,000 substances. Basic functionality for searching through the data is provided through identifier searches, such as systematic name, trade names and CAS Registry Numbers. Advanced Search capabilities supporting mass spectrometry include mass and formula-based searches, combined substructure-mass searches and searching experimental mass spectral data against predicted fragmentation spectra. A specific type of data mapping in the underpinning database, using “MS-Ready” structures, has proven to be a valuable approach for structure identification that links structures that can be identified via HRMS with related substances in the form of salts, and other multi-component mixtures that are available in commerce. These MS-Ready structures have been used as an input set for computational MS-fragmentation to provide a database against which to search experimental data for spectral matching. This presentation will provide an overview of how the CompTox Chemicals Dashboard supports structure identification and non-targeted analysis in chemical forensics. This abstract does not necessarily represent the views or policies of the U.S. Environmental Protection Agency.Maximize Your Understanding of Operational Realities in Manufacturing with Pr...
Maximize Your Understanding of Operational Realities in Manufacturing with Predictive Insights using Big Data, Artificial Intelligence, and Pharma 4.0
by Toni Manzano, PhD, Co-founder and CSO, Bigfinite
PDA Annual Meeting 2020
The EPA CompTox Chemistry Dashboard and Underpinning Software Architecture
The EPA CompTox Chemistry Dashboard and Underpinning Software Architecture US Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
The CompTox Chemistry Dashboard was developed by the Environmental Protection Agency’s National Center for Computational Toxicology. This dashboard has been architected in a manner that allows for the deployment of multiple “applications”, both as publicly available databases, and for deployment under the constraints of confidential business information (CBI). The public dashboard provide access to multiple types of data for ~750,000 chemicals. This includes, when available for a chemical substance, physicochemical parameters, toxicity and bioassay data, consumer use and analytical data. Fate, exposure, and hazard calculations can benefit from access to the data aggregation and curation efforts that underpin the public dashboard. Also, regulators can benefit from the integration of their own data within their closed infrastructure environments. This presentation will provide a review of the chemistry dashboard architecture and its present application providing access to data to the research and regulatory communities. We will also review present developments in the area of delivering an application programming interface, web services, and software components for integration into third party applications providing access to the data exposed via the dashboard. This abstract does not reflect U.S. EPA policy.Similar to Publishing chemical data in public data repository (20)
How to place your research questions or results into the context of the "Lega...
How to place your research questions or results into the context of the "Lega...
Accessing Environmental Chemistry Data via Data Dashboards
Accessing Environmental Chemistry Data via Data Dashboards
Cheminformatics Support for MS Supporting Exposomics
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Delivering chemical-associated data via EPA web applications
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Delivering web-based access to data and algorithms to support computational t...
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Introduction to Cheminformatics: Accessing data through the CompTox Chemicals...
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Integrating Mass Spectrometry Non-Targeted Analysis and Computational Toxico...
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US-EPA Chemicals Dashboard – an integrated data hub for environmental science
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Delivering The Benefits of Chemical-Biological Integration in Computational T...
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2016 ACS Semantic Approaches for Biochemical Knowledge Discovery
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Success in decision making data relevance curation
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Applications of the US EPA’s CompTox Chemistry Dashboard to support structure...
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Maximize Your Understanding of Operational Realities in Manufacturing with Pr...
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一比一原版(lbs毕业证书)伦敦商学院毕业证如何办理
原版一模一样【微信：741003700 】【(lbs毕业证书)伦敦商学院毕业证成绩单】【微信：741003700 】学位证，留信认证（真实可查，永久存档）原件一模一样纸张工艺/offer、雅思、外壳等材料/诚信可靠,可直接看成品样本，帮您解决无法毕业带来的各种难题！外壳，原版制作，诚信可靠，可直接看成品样本。行业标杆！精益求精，诚心合作，真诚制作！多年品质 ,按需精细制作，24小时接单,全套进口原装设备。十五年致力于帮助留学生解决难题，包您满意。
本公司拥有海外各大学样板无数，能完美还原。
1:1完美还原海外各大学毕业材料上的工艺：水印，阴影底纹，钢印LOGO烫金烫银，LOGO烫金烫银复合重叠。文字图案浮雕、激光镭射、紫外荧光、温感、复印防伪等防伪工艺。材料咨询办理、认证咨询办理请加学历顾问Q/微741003700
【主营项目】
一.毕业证【q微741003700】成绩单、使馆认证、教育部认证、雅思托福成绩单、学生卡等！
二.真实使馆公证(即留学回国人员证明,不成功不收费)
三.真实教育部学历学位认证（教育部存档！教育部留服网站永久可查）
四.办理各国各大学文凭(一对一专业服务,可全程监控跟踪进度)
如果您处于以下几种情况：
◇在校期间，因各种原因未能顺利毕业……拿不到官方毕业证【q/微741003700】
◇面对父母的压力，希望尽快拿到；
◇不清楚认证流程以及材料该如何准备；
◇回国时间很长，忘记办理；
◇回国马上就要找工作，办给用人单位看；
◇企事业单位必须要求办理的
◇需要报考公务员、购买免税车、落转户口
◇申请留学生创业基金
留信网认证的作用:
1:该专业认证可证明留学生真实身份
2:同时对留学生所学专业登记给予评定
3:国家专业人才认证中心颁发入库证书
4:这个认证书并且可以归档倒地方
5:凡事获得留信网入网的信息将会逐步更新到个人身份内，将在公安局网内查询个人身份证信息后，同步读取人才网入库信息
6:个人职称评审加20分
7:个人信誉贷款加10分
8:在国家人才网主办的国家网络招聘大会中纳入资料，供国家高端企业选择人才
办理(lbs毕业证书)伦敦商学院毕业证【微信：741003700 】外观非常简单，由纸质材料制成，上面印有校徽、校名、毕业生姓名、专业等信息。
办理(lbs毕业证书)伦敦商学院毕业证【微信：741003700 】格式相对统一，各专业都有相应的模板。通常包括以下部分：
校徽：象征着学校的荣誉和传承。
校名:学校英文全称
授予学位：本部分将注明获得的具体学位名称。
毕业生姓名：这是最重要的信息之一，标志着该证书是由特定人员获得的。
颁发日期：这是毕业正式生效的时间，也代表着毕业生学业的结束。
其他信息：根据不同的专业和学位，可能会有一些特定的信息或章节。
办理(lbs毕业证书)伦敦商学院毕业证【微信：741003700 】价值很高，需要妥善保管。一般来说，应放置在安全、干燥、防潮的地方，避免长时间暴露在阳光下。如需使用，最好使用复印件而不是原件，以免丢失。
综上所述，办理(lbs毕业证书)伦敦商学院毕业证【微信：741003700 】是证明身份和学历的高价值文件。外观简单庄重，格式统一，包括重要的个人信息和发布日期。对持有人来说，妥善保管是非常重要的。
Sid Sigma educational and problem solving power point- Six Sigma.ppt
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原版制作(unimelb毕业证书)墨尔本大学毕业证Offer一模一样
学校原件一模一样【微信：741003700 】《(unimelb毕业证书)墨尔本大学毕业证》【微信：741003700 】学位证，留信认证（真实可查，永久存档）原件一模一样纸张工艺/offer、雅思、外壳等材料/诚信可靠,可直接看成品样本，帮您解决无法毕业带来的各种难题！外壳，原版制作，诚信可靠，可直接看成品样本。行业标杆！精益求精，诚心合作，真诚制作！多年品质 ,按需精细制作，24小时接单,全套进口原装设备。十五年致力于帮助留学生解决难题，包您满意。
本公司拥有海外各大学样板无数，能完美还原。
1:1完美还原海外各大学毕业材料上的工艺：水印，阴影底纹，钢印LOGO烫金烫银，LOGO烫金烫银复合重叠。文字图案浮雕、激光镭射、紫外荧光、温感、复印防伪等防伪工艺。材料咨询办理、认证咨询办理请加学历顾问Q/微741003700
【主营项目】
一.毕业证【q微741003700】成绩单、使馆认证、教育部认证、雅思托福成绩单、学生卡等！
二.真实使馆公证(即留学回国人员证明,不成功不收费)
三.真实教育部学历学位认证（教育部存档！教育部留服网站永久可查）
四.办理各国各大学文凭(一对一专业服务,可全程监控跟踪进度)
如果您处于以下几种情况：
◇在校期间，因各种原因未能顺利毕业……拿不到官方毕业证【q/微741003700】
◇面对父母的压力，希望尽快拿到；
◇不清楚认证流程以及材料该如何准备；
◇回国时间很长，忘记办理；
◇回国马上就要找工作，办给用人单位看；
◇企事业单位必须要求办理的
◇需要报考公务员、购买免税车、落转户口
◇申请留学生创业基金
留信网认证的作用:
1:该专业认证可证明留学生真实身份
2:同时对留学生所学专业登记给予评定
3:国家专业人才认证中心颁发入库证书
4:这个认证书并且可以归档倒地方
5:凡事获得留信网入网的信息将会逐步更新到个人身份内，将在公安局网内查询个人身份证信息后，同步读取人才网入库信息
6:个人职称评审加20分
7:个人信誉贷款加10分
8:在国家人才网主办的国家网络招聘大会中纳入资料，供国家高端企业选择人才
Open Source Contributions to Postgres: The Basics POSETTE 2024
Postgres is the most advanced open-source database in the world and it's supported by a community, not a single company. So how does this work? How does code actually get into Postgres? I recently had a patch submitted and committed and I want to share what I learned in that process. I’ll give you an overview of Postgres versions and how the underlying project codebase functions. I’ll also show you the process for submitting a patch and getting that tested and committed.
一比一原版加拿大渥太华大学毕业证（uottawa毕业证书）如何办理
原版一模一样【微信：741003700 】【渥太华大学毕业证（uottawa毕业证书）成绩单】【微信：741003700 】学位证，留信认证（真实可查，永久存档）原件一模一样纸张工艺/offer、雅思、外壳等材料/诚信可靠,可直接看成品样本，帮您解决无法毕业带来的各种难题！外壳，原版制作，诚信可靠，可直接看成品样本。行业标杆！精益求精，诚心合作，真诚制作！多年品质 ,按需精细制作，24小时接单,全套进口原装设备。十五年致力于帮助留学生解决难题，包您满意。
本公司拥有海外各大学样板无数，能完美还原。
1:1完美还原海外各大学毕业材料上的工艺：水印，阴影底纹，钢印LOGO烫金烫银，LOGO烫金烫银复合重叠。文字图案浮雕、激光镭射、紫外荧光、温感、复印防伪等防伪工艺。材料咨询办理、认证咨询办理请加学历顾问Q/微741003700
【主营项目】
一.毕业证【q微741003700】成绩单、使馆认证、教育部认证、雅思托福成绩单、学生卡等！
二.真实使馆公证(即留学回国人员证明,不成功不收费)
三.真实教育部学历学位认证（教育部存档！教育部留服网站永久可查）
四.办理各国各大学文凭(一对一专业服务,可全程监控跟踪进度)
如果您处于以下几种情况：
◇在校期间，因各种原因未能顺利毕业……拿不到官方毕业证【q/微741003700】
◇面对父母的压力，希望尽快拿到；
◇不清楚认证流程以及材料该如何准备；
◇回国时间很长，忘记办理；
◇回国马上就要找工作，办给用人单位看；
◇企事业单位必须要求办理的
◇需要报考公务员、购买免税车、落转户口
◇申请留学生创业基金
留信网认证的作用:
1:该专业认证可证明留学生真实身份
2:同时对留学生所学专业登记给予评定
3:国家专业人才认证中心颁发入库证书
4:这个认证书并且可以归档倒地方
5:凡事获得留信网入网的信息将会逐步更新到个人身份内，将在公安局网内查询个人身份证信息后，同步读取人才网入库信息
6:个人职称评审加20分
7:个人信誉贷款加10分
8:在国家人才网主办的国家网络招聘大会中纳入资料，供国家高端企业选择人才
办理渥太华大学毕业证（uottawa毕业证书）【微信：741003700 】外观非常简单，由纸质材料制成，上面印有校徽、校名、毕业生姓名、专业等信息。
办理渥太华大学毕业证（uottawa毕业证书）【微信：741003700 】格式相对统一，各专业都有相应的模板。通常包括以下部分：
校徽：象征着学校的荣誉和传承。
校名:学校英文全称
授予学位：本部分将注明获得的具体学位名称。
毕业生姓名：这是最重要的信息之一，标志着该证书是由特定人员获得的。
颁发日期：这是毕业正式生效的时间，也代表着毕业生学业的结束。
其他信息：根据不同的专业和学位，可能会有一些特定的信息或章节。
办理渥太华大学毕业证（uottawa毕业证书）【微信：741003700 】价值很高，需要妥善保管。一般来说，应放置在安全、干燥、防潮的地方，避免长时间暴露在阳光下。如需使用，最好使用复印件而不是原件，以免丢失。
综上所述，办理渥太华大学毕业证（uottawa毕业证书）【微信：741003700 】是证明身份和学历的高价值文件。外观简单庄重，格式统一，包括重要的个人信息和发布日期。对持有人来说，妥善保管是非常重要的。
一比一原版兰加拉学院毕业证(Langara毕业证书)学历如何办理
原版办【微信号:BYZS866】【兰加拉学院毕业证(Langara毕业证书)】【微信号:BYZS866】《成绩单、外壳、雅思、offer、真实留信官方学历认证（永久存档/真实可查）》采用学校原版纸张、特殊工艺完全按照原版一比一制作（包括：隐形水印，阴影底纹，钢印LOGO烫金烫银，LOGO烫金烫银复合重叠，文字图案浮雕，激光镭射，紫外荧光，温感，复印防伪）行业标杆！精益求精，诚心合作，真诚制作！多年品质 ,按需精细制作，24小时接单,全套进口原装设备，十五年致力于帮助留学生解决难题，业务范围有加拿大、英国、澳洲、韩国、美国、新加坡，新西兰等学历材料，包您满意。
【我们承诺采用的是学校原版纸张（纸质、底色、纹路）我们拥有全套进口原装设备，特殊工艺都是采用不同机器制作，仿真度基本可以达到100%，所有工艺效果都可提前给客户展示，不满意可以根据客户要求进行调整，直到满意为止！】
【业务选择办理准则】
一、工作未确定，回国需先给父母、亲戚朋友看下文凭的情况，办理一份就读学校的毕业证【微信号BYZS866】文凭即可
二、回国进私企、外企、自己做生意的情况，这些单位是不查询毕业证真伪的，而且国内没有渠道去查询国外文凭的真假，也不需要提供真实教育部认证。鉴于此，办理一份毕业证【微信号BYZS866】即可
三、进国企，银行，事业单位，考公务员等等，这些单位是必需要提供真实教育部认证的，办理教育部认证所需资料众多且烦琐，所有材料您都必须提供原件，我们凭借丰富的经验，快捷的绿色通道帮您快速整合材料，让您少走弯路。
留信网认证的作用:
1:该专业认证可证明留学生真实身份
2:同时对留学生所学专业登记给予评定
3:国家专业人才认证中心颁发入库证书
4:这个认证书并且可以归档倒地方
5:凡事获得留信网入网的信息将会逐步更新到个人身份内，将在公安局网内查询个人身份证信息后，同步读取人才网入库信息
6:个人职称评审加20分
7:个人信誉贷款加10分
8:在国家人才网主办的国家网络招聘大会中纳入资料，供国家高端企业选择人才
留信网服务项目：
1、留学生专业人才库服务（留信分析）
2、国（境）学习人员提供就业推荐信服务
3、留学人员区块链存储服务
【关于价格问题（保证一手价格）】
我们所定的价格是非常合理的，而且我们现在做得单子大多数都是代理和回头客户介绍的所以一般现在有新的单子 我给客户的都是第一手的代理价格，因为我想坦诚对待大家 不想跟大家在价格方面浪费时间
对于老客户或者被老客户介绍过来的朋友，我们都会适当给一些优惠。
选择实体注册公司办理，更放心，更安全！我们的承诺：客户在留信官方认证查询网站查询到认证通过结果后付款，不成功不收费！
[VCOSA] Monthly Report - Cotton & Yarn Statistics May 2024
We are pleased to share with you the latest VCOSA statistical report on the cotton and yarn industry for the month of May 2024.
Starting from January 2024, the full weekly and monthly reports will only be available for free to VCOSA members. To access the complete weekly report with figures, charts, and detailed analysis of the cotton fiber market in the past week, interested parties are kindly requested to contact VCOSA to subscribe to the newsletter.
06-20-2024-AI Camp Meetup-Unstructured Data and Vector Databases
Tech Talk: Unstructured Data and Vector Databases
Speaker: Tim Spann (Zilliz)
Abstract: In this session, I will discuss the unstructured data and the world of vector databases, we will see how they different from traditional databases. In which cases you need one and in which you probably don’t. I will also go over Similarity Search, where do you get vectors from and an example of a Vector Database Architecture. Wrapping up with an overview of Milvus.
Introduction
Unstructured data, vector databases, traditional databases, similarity search
Vectors
Where, What, How, Why Vectors? We’ll cover a Vector Database Architecture
Introducing Milvus
What drives Milvus' Emergence as the most widely adopted vector database
Hi Unstructured Data Friends!
I hope this video had all the unstructured data processing, AI and Vector Database demo you needed for now. If not, there’s a ton more linked below.
My source code is available here
https://github.com/tspannhw/
Let me know in the comments if you liked what you saw, how I can improve and what should I show next? Thanks, hope to see you soon at a Meetup in Princeton, Philadelphia, New York City or here in the Youtube Matrix.
Get Milvused!
https://milvus.io/
Read my Newsletter every week!
https://github.com/tspannhw/FLiPStackWeekly/blob/main/141-10June2024.md
For more cool Unstructured Data, AI and Vector Database videos check out the Milvus vector database videos here
https://www.youtube.com/@MilvusVectorDatabase/videos
Unstructured Data Meetups -
https://www.meetup.com/unstructured-data-meetup-new-york/
https://lu.ma/calendar/manage/cal-VNT79trvj0jS8S7
https://www.meetup.com/pro/unstructureddata/
https://zilliz.com/community/unstructured-data-meetup
https://zilliz.com/event
Twitter/X: https://x.com/milvusio https://x.com/paasdev
LinkedIn: https://www.linkedin.com/company/zilliz/ https://www.linkedin.com/in/timothyspann/
GitHub: https://github.com/milvus-io/milvus https://github.com/tspannhw
Invitation to join Discord: https://discord.com/invite/FjCMmaJng6
Blogs: https://milvusio.medium.com/ https://www.opensourcevectordb.cloud/ https://medium.com/@tspann
https://www.meetup.com/unstructured-data-meetup-new-york/events/301383476/?slug=unstructured-data-meetup-new-york&eventId=301383476
https://www.aicamp.ai/event/eventdetails/W2024062014
一比一原版雷丁大学毕业证(UoR毕业证书)学历如何办理
原版办理【微信号:BYZS866】【雷丁大学毕业证(UoR毕业证书)】【微信号:BYZS866】《成绩单、外壳、雅思、offer、真实留信官方学历认证（永久存档/真实可查）》采用学校原版纸张、特殊工艺完全按照原版一比一制作（包括：隐形水印，阴影底纹，钢印LOGO烫金烫银，LOGO烫金烫银复合重叠，文字图案浮雕，激光镭射，紫外荧光，温感，复印防伪）行业标杆！精益求精，诚心合作，真诚制作！多年品质 ,按需精细制作，24小时接单,全套进口原装设备，十五年致力于帮助留学生解决难题，业务范围有加拿大、英国、澳洲、韩国、美国、新加坡，新西兰等学历材料，包您满意。
【关于学历材料质量】
我们承诺采用的是学校原版纸张（原版纸质、底色、纹路）我们工厂拥有全套进口原装设备，特殊工艺都是采用不同机器制作，仿真度基本可以达到100%，所有成品以及工艺效果都可提前给客户展示，不满意可以根据客户要求进行调整，直到满意为止！
【业务选择办理准则】
一、工作未确定，回国需先给父母、亲戚朋友看下文凭的情况，办理一份就读学校的毕业证【微信号BYZS866】文凭即可
二、回国进私企、外企、自己做生意的情况，这些单位是不查询毕业证真伪的，而且国内没有渠道去查询国外文凭的真假，也不需要提供真实教育部认证。鉴于此，办理一份毕业证【微信号BYZS866】即可
三、进国企，银行，事业单位，考公务员等等，这些单位是必需要提供真实教育部认证的，办理教育部认证所需资料众多且烦琐，所有材料您都必须提供原件，我们凭借丰富的经验，快捷的绿色通道帮您快速整合材料，让您少走弯路。
留信网认证的作用:
1:该专业认证可证明留学生真实身份
2:同时对留学生所学专业登记给予评定
3:国家专业人才认证中心颁发入库证书
4:这个认证书并且可以归档倒地方
5:凡事获得留信网入网的信息将会逐步更新到个人身份内，将在公安局网内查询个人身份证信息后，同步读取人才网入库信息
6:个人职称评审加20分
7:个人信誉贷款加10分
8:在国家人才网主办的国家网络招聘大会中纳入资料，供国家高端企业选择人才
留信网服务项目：
1、留学生专业人才库服务（留信分析）
2、国（境）学习人员提供就业推荐信服务
3、留学人员区块链存储服务
【关于价格问题（保证一手价格）】
我们所定的价格是非常合理的，而且我们现在做得单子大多数都是代理和回头客户介绍的所以一般现在有新的单子 我给客户的都是第一手的代理价格，因为我想坦诚对待大家 不想跟大家在价格方面浪费时间
对于老客户或者被老客户介绍过来的朋友，我们都会适当给一些优惠。
选择实体注册公司办理，更放心，更安全！我们的承诺：客户在留信官方认证查询网站查询到认证通过结果后付款，不成功不收费！
[VCOSA] Monthly Report - Cotton & Yarn Statistics March 2024
We are pleased to share with you the latest VCOSA statistical report on the cotton and yarn industry for the month of March 2024.
Starting from January 2024, the full weekly and monthly reports will only be available for free to VCOSA members. To access the complete weekly report with figures, charts, and detailed analysis of the cotton fiber market in the past week, interested parties are kindly requested to contact VCOSA to subscribe to the newsletter.
一比一原版英国赫特福德大学毕业证（hertfordshire毕业证书）如何办理
原版一模一样【微信：741003700 】【英国赫特福德大学毕业证（hertfordshire毕业证书）成绩单】【微信：741003700 】学位证，留信认证（真实可查，永久存档）原件一模一样纸张工艺/offer、雅思、外壳等材料/诚信可靠,可直接看成品样本，帮您解决无法毕业带来的各种难题！外壳，原版制作，诚信可靠，可直接看成品样本。行业标杆！精益求精，诚心合作，真诚制作！多年品质 ,按需精细制作，24小时接单,全套进口原装设备。十五年致力于帮助留学生解决难题，包您满意。
本公司拥有海外各大学样板无数，能完美还原。
1:1完美还原海外各大学毕业材料上的工艺：水印，阴影底纹，钢印LOGO烫金烫银，LOGO烫金烫银复合重叠。文字图案浮雕、激光镭射、紫外荧光、温感、复印防伪等防伪工艺。材料咨询办理、认证咨询办理请加学历顾问Q/微741003700
【主营项目】
一.毕业证【q微741003700】成绩单、使馆认证、教育部认证、雅思托福成绩单、学生卡等！
二.真实使馆公证(即留学回国人员证明,不成功不收费)
三.真实教育部学历学位认证（教育部存档！教育部留服网站永久可查）
四.办理各国各大学文凭(一对一专业服务,可全程监控跟踪进度)
如果您处于以下几种情况：
◇在校期间，因各种原因未能顺利毕业……拿不到官方毕业证【q/微741003700】
◇面对父母的压力，希望尽快拿到；
◇不清楚认证流程以及材料该如何准备；
◇回国时间很长，忘记办理；
◇回国马上就要找工作，办给用人单位看；
◇企事业单位必须要求办理的
◇需要报考公务员、购买免税车、落转户口
◇申请留学生创业基金
留信网认证的作用:
1:该专业认证可证明留学生真实身份
2:同时对留学生所学专业登记给予评定
3:国家专业人才认证中心颁发入库证书
4:这个认证书并且可以归档倒地方
5:凡事获得留信网入网的信息将会逐步更新到个人身份内，将在公安局网内查询个人身份证信息后，同步读取人才网入库信息
6:个人职称评审加20分
7:个人信誉贷款加10分
8:在国家人才网主办的国家网络招聘大会中纳入资料，供国家高端企业选择人才
办理英国赫特福德大学毕业证（hertfordshire毕业证书）【微信：741003700 】外观非常简单，由纸质材料制成，上面印有校徽、校名、毕业生姓名、专业等信息。
办理英国赫特福德大学毕业证（hertfordshire毕业证书）【微信：741003700 】格式相对统一，各专业都有相应的模板。通常包括以下部分：
校徽：象征着学校的荣誉和传承。
校名:学校英文全称
授予学位：本部分将注明获得的具体学位名称。
毕业生姓名：这是最重要的信息之一，标志着该证书是由特定人员获得的。
颁发日期：这是毕业正式生效的时间，也代表着毕业生学业的结束。
其他信息：根据不同的专业和学位，可能会有一些特定的信息或章节。
办理英国赫特福德大学毕业证（hertfordshire毕业证书）【微信：741003700 】价值很高，需要妥善保管。一般来说，应放置在安全、干燥、防潮的地方，避免长时间暴露在阳光下。如需使用，最好使用复印件而不是原件，以免丢失。
综上所述，办理英国赫特福德大学毕业证（hertfordshire毕业证书）【微信：741003700 】是证明身份和学历的高价值文件。外观简单庄重，格式统一，包括重要的个人信息和发布日期。对持有人来说，妥善保管是非常重要的。
Telemetry Solution for Gaming (AWS Summit'24)
Discover the cutting-edge telemetry solution implemented for Alan Wake 2 by Remedy Entertainment in collaboration with AWS. This comprehensive presentation dives into our objectives, detailing how we utilized advanced analytics to drive gameplay improvements and player engagement.
Key highlights include:
Primary Goals: Implementing gameplay and technical telemetry to capture detailed player behavior and game performance data, fostering data-driven decision-making.
Tech Stack: Leveraging AWS services such as EKS for hosting, WAF for security, Karpenter for instance optimization, S3 for data storage, and OpenTelemetry Collector for data collection. EventBridge and Lambda were used for data compression, while Glue ETL and Athena facilitated data transformation and preparation.
Data Utilization: Transforming raw data into actionable insights with technologies like Glue ETL (PySpark scripts), Glue Crawler, and Athena, culminating in detailed visualizations with Tableau.
Achievements: Successfully managing 700 million to 1 billion events per month at a cost-effective rate, with significant savings compared to commercial solutions. This approach has enabled simplified scaling and substantial improvements in game design, reducing player churn through targeted adjustments.
Community Engagement: Enhanced ability to engage with player communities by leveraging precise data insights, despite having a small community management team.
This presentation is an invaluable resource for professionals in game development, data analytics, and cloud computing, offering insights into how telemetry and analytics can revolutionize player experience and game performance optimization.
一比一原版澳洲西澳大学毕业证（uwa毕业证书）如何办理
原版一模一样【微信：741003700 】【澳洲西澳大学毕业证（uwa毕业证书）成绩单】【微信：741003700 】学位证，留信认证（真实可查，永久存档）原件一模一样纸张工艺/offer、雅思、外壳等材料/诚信可靠,可直接看成品样本，帮您解决无法毕业带来的各种难题！外壳，原版制作，诚信可靠，可直接看成品样本。行业标杆！精益求精，诚心合作，真诚制作！多年品质 ,按需精细制作，24小时接单,全套进口原装设备。十五年致力于帮助留学生解决难题，包您满意。
本公司拥有海外各大学样板无数，能完美还原。
1:1完美还原海外各大学毕业材料上的工艺：水印，阴影底纹，钢印LOGO烫金烫银，LOGO烫金烫银复合重叠。文字图案浮雕、激光镭射、紫外荧光、温感、复印防伪等防伪工艺。材料咨询办理、认证咨询办理请加学历顾问Q/微741003700
【主营项目】
一.毕业证【q微741003700】成绩单、使馆认证、教育部认证、雅思托福成绩单、学生卡等！
二.真实使馆公证(即留学回国人员证明,不成功不收费)
三.真实教育部学历学位认证（教育部存档！教育部留服网站永久可查）
四.办理各国各大学文凭(一对一专业服务,可全程监控跟踪进度)
如果您处于以下几种情况：
◇在校期间，因各种原因未能顺利毕业……拿不到官方毕业证【q/微741003700】
◇面对父母的压力，希望尽快拿到；
◇不清楚认证流程以及材料该如何准备；
◇回国时间很长，忘记办理；
◇回国马上就要找工作，办给用人单位看；
◇企事业单位必须要求办理的
◇需要报考公务员、购买免税车、落转户口
◇申请留学生创业基金
留信网认证的作用:
1:该专业认证可证明留学生真实身份
2:同时对留学生所学专业登记给予评定
3:国家专业人才认证中心颁发入库证书
4:这个认证书并且可以归档倒地方
5:凡事获得留信网入网的信息将会逐步更新到个人身份内，将在公安局网内查询个人身份证信息后，同步读取人才网入库信息
6:个人职称评审加20分
7:个人信誉贷款加10分
8:在国家人才网主办的国家网络招聘大会中纳入资料，供国家高端企业选择人才
办理澳洲西澳大学毕业证（uwa毕业证书）【微信：741003700 】外观非常简单，由纸质材料制成，上面印有校徽、校名、毕业生姓名、专业等信息。
办理澳洲西澳大学毕业证（uwa毕业证书）【微信：741003700 】格式相对统一，各专业都有相应的模板。通常包括以下部分：
校徽：象征着学校的荣誉和传承。
校名:学校英文全称
授予学位：本部分将注明获得的具体学位名称。
毕业生姓名：这是最重要的信息之一，标志着该证书是由特定人员获得的。
颁发日期：这是毕业正式生效的时间，也代表着毕业生学业的结束。
其他信息：根据不同的专业和学位，可能会有一些特定的信息或章节。
办理澳洲西澳大学毕业证（uwa毕业证书）【微信：741003700 】价值很高，需要妥善保管。一般来说，应放置在安全、干燥、防潮的地方，避免长时间暴露在阳光下。如需使用，最好使用复印件而不是原件，以免丢失。
综上所述，办理澳洲西澳大学毕业证（uwa毕业证书）【微信：741003700 】是证明身份和学历的高价值文件。外观简单庄重，格式统一，包括重要的个人信息和发布日期。对持有人来说，妥善保管是非常重要的。
一比一原版(UO毕业证)渥太华大学毕业证如何办理
原件一模一样【微信：95270640】【渥太华大学毕业证UO学位证成绩单】【微信：95270640】（留信学历认证永久存档查询）采用学校原版纸张、特殊工艺完全按照原版一比一制作（包括：隐形水印，阴影底纹，钢印LOGO烫金烫银，LOGO烫金烫银复合重叠，文字图案浮雕，激光镭射，紫外荧光，温感，复印防伪）行业标杆！精益求精，诚心合作，真诚制作！多年品质 ,按需精细制作，24小时接单,全套进口原装设备，十五年致力于帮助留学生解决难题，业务范围有加拿大、英国、澳洲、韩国、美国、新加坡，新西兰等学历材料，包您满意。
【业务选择办理准则】
一、工作未确定，回国需先给父母、亲戚朋友看下文凭的情况，办理一份就读学校的毕业证【微信：95270640】文凭即可
二、回国进私企、外企、自己做生意的情况，这些单位是不查询毕业证真伪的，而且国内没有渠道去查询国外文凭的真假，也不需要提供真实教育部认证。鉴于此，办理一份毕业证【微信：95270640】即可
三、进国企，银行，事业单位，考公务员等等，这些单位是必需要提供真实教育部认证的，办理教育部认证所需资料众多且烦琐，所有材料您都必须提供原件，我们凭借丰富的经验，快捷的绿色通道帮您快速整合材料，让您少走弯路。
留信网认证的作用:
1:该专业认证可证明留学生真实身份【微信：95270640】
2:同时对留学生所学专业登记给予评定
3:国家专业人才认证中心颁发入库证书
4:这个认证书并且可以归档倒地方
5:凡事获得留信网入网的信息将会逐步更新到个人身份内，将在公安局网内查询个人身份证信息后，同步读取人才网入库信息
6:个人职称评审加20分
7:个人信誉贷款加10分
8:在国家人才网主办的国家网络招聘大会中纳入资料，供国家高端企业选择人才
→ 【关于价格问题（保证一手价格）
我们所定的价格是非常合理的，而且我们现在做得单子大多数都是代理和回头客户介绍的所以一般现在有新的单子 我给客户的都是第一手的代理价格，因为我想坦诚对待大家 不想跟大家在价格方面浪费时间
对于老客户或者被老客户介绍过来的朋友，我们都会适当给一些优惠。
选择实体注册公司办理，更放心，更安全！我们的承诺：可来公司面谈，可签订合同，会陪同客户一起到教育部认证窗口递交认证材料，客户在教育部官方认证查询网站查询到认证通过结果后付款，不成功不收费！
办理渥太华大学毕业证毕业证offerUO学位证【微信：95270640 】外观非常精致，由特殊纸质材料制成，上面印有校徽、校名、毕业生姓名、专业等信息。
办理渥太华大学毕业证UO学位证毕业证offer【微信：95270640 】格式相对统一，各专业都有相应的模板。通常包括以下部分：
校徽：象征着学校的荣誉和传承。
校名:学校英文全称
授予学位：本部分将注明获得的具体学位名称。
毕业生姓名：这是最重要的信息之一，标志着该证书是由特定人员获得的。
颁发日期：这是毕业正式生效的时间，也代表着毕业生学业的结束。
其他信息：根据不同的专业和学位，可能会有一些特定的信息或章节。
办理渥太华大学毕业证毕业证offerUO学位证【微信：95270640 】价值很高，需要妥善保管。一般来说，应放置在安全、干燥、防潮的地方，避免长时间暴露在阳光下。如需使用，最好使用复印件而不是原件，以免丢失。
综上所述，办理渥太华大学毕业证毕业证offerUO学位证【微信：95270640 】是证明身份和学历的高价值文件。外观简单庄重，格式统一，包括重要的个人信息和发布日期。对持有人来说，妥善保管是非常重要的。
社内勉強会資料_Hallucination of LLMs .
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大規模言語モデル(LLM)に起こるハルシネーションのメカニズムと、それらを軽減する方法について紹介しています。
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Publishing chemical data in public data repository
- 1. Publishing chemical data in public data repository Jian Zhang*, Paul Thiessen, Asta Gindulyte, Evan Bolton 256th ACS National Meeting, Boston, August 2018
- 2. Outline .. • PubChem overview • What data PubChem has • How to publish your data - case studies • Automated pipeline • How to access • Summary
- 3. PubChem … overview and status • A public chemical data repository – a public data sharing platform • An open chemistry database • A chemical information hub • A data comparison center • A chemical data index Compounds: 96,478,070 Substances: 247,243,896 BioAssays: 1,252,901 Tested Compounds: 2,978,541 Tested Substances: 4,994,132 BioActivities: 236,790,496 Protein Targets: 10,854 Gene Targets: 22,108 Data submitors: 623 Countries: 40
- 5. Data … chemical centralized and beyond • Chemical structure – 2D/3D, SMILES, InChI, SDF.. • Property - • Drug and medication • Agrochemicals • Food additives • Safety and hazards • Toxicity • Literature • Patents • Bioactivity • Target • Natural products • Pathways • … more • Link back to original data
- 6. How to submit data to PubChem and publishing • Chemical substance – SDF, SMILS, … • Bioactivity data – CSV, XML, ASN.1 … • Annotation – data format varies
- 7. Data submission .. Chemical substances • Data format: SDF, CSV.. Through PubChem UpLoad • Covert your structure SDF/CSV into PubChem standard • Provide mapping information for your data file. https://pubchemdocs.ncbi.nlm.nih.gov/upload-chemicals
- 8. Data submission .. Bioactivity data • Data format: CSV, XML, ASN1.. Through PubChem UpLoad • Use PubChem standard tags for your data (spreadsheet) • Covert your data into PubChem stardard XML/ASN1 https://pubchemdocs.ncbi.nlm.nih.gov/upload-bioassays
- 9. Data submission .. Data specifications
- 10. Data submission .. Annotations • Incoming data format varies … CSV, text, XML, json, html, tables, images … special parser needed
- 11. Data submission .. Case study Springer Nature submitted over 620k chemical substances and more than 4 million literature articles/book chapters to PubChem which yield over 28 million compound-literature links.
- 12. Data submission .. Case study Springer Nature data in PubChem..
- 14. Data submission .. Case study Substance data
- 15. Literature annotations Data submission .. Case study INFOCHEM 2D 1 1.00000 0.00000 0 13 13 0 0 0 0 0 0 0 0999 V2000 0.7894 1.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5789 1.3684 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4210 0.7368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1579 0.7368 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5789 1.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1579 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4210 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4210 -0.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.3158 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4210 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7894 -1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 0 0 0 1 3 1 0 0 0 0 3 4 2 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 M END > <PUBCHEM_EXT_DATASOURCE_REGID> 13043826-37657822 > <PUBCHEM_SUBSTANCE_COMMENT> This substance has the INFOCHEM hashcode: 13043826-37657822 > <PUBCHEM_SUBSTANCE_SYNONYM> (1e)-N'-(3-cyano-2-pyridinyl)-N,N-dimethylmethanimidamide $$$$ { "substances": { "100086048-91340494": [ { "doi": "10.1007/7355_2017_9", "relevance": "3.0595" }, { "doi": "10.1007/s12010-017-2680-4", "relevance": "0.241" }, { "doi": "10.1007/s12562-018-1226-1", "relevance": "0.1393" }, { "doi": "10.1007/s13197-018-3155-5", "relevance": "0.1366" }, { "doi": "10.1007/s40278-018-48591-z", "relevance": "2.923" }, { "doi": "10.1186/s12866-018-1205-9", "relevance": "0.5178" }, { "citations": [ { "10.1007/978-3-662-55935-2_34": { "documentType": "book chapter", "journal": "Periphere arterielle Interventionen", "language": "De", "openArticle": " ", "publicationYear": "2018", "subjectCollection": "Medicine", "title": "Perkutane Angioplastie infrapoplitealer Arterien" } }, { "10.1007/978-3-662-55935-2_33": { "documentType": "book chapter", "journal": "Periphere arterielle Interventionen", "language": "De", "openArticle": " ", "publicationYear": "2018", "subjectCollection": "Medicine", "title": "Behandlungsstrategien bei kritischer Ischämie und chronischen femoropoplitealen Verschlüssen" …….. <!DOCTYPE Annotations PUBLIC "-//NCBI//annotations/EN" "annotations.dtd"> <Annotations> <Annotation> <SourceName>Springer Nature</SourceName> <SourceID>100086048-91340494</SourceID> <Description>Literature references related to scientific contents from Springer Nature journals and books. <a href="https://link.springer.com/">Read more ...</a></Description> <LinkToPubChemBy> <Source> <SourceName>15745</SourceName> <SourceID>100086048-91340494</SourceID> </Source> </LinkToPubChemBy> <Data> <TOCHeading>Springer Nature References</TOCHeading> <Name>Springer Nature References</Name> <Value> <Table> <ColumnName>Title</ColumnName> <ColumnName>Journal/Book</ColumnName> <ColumnName>PMID</ColumnName> <ColumnName>Open Access</ColumnName> <ColumnName>Year</ColumnName> <ExternalTableName>springernature</ExternalTableName> <ExternalTableNumRows>5</ExternalTableNumRows> </Table> </Value> </Data>
- 16. Data submission .. Case study DBs APIs
- 17. Data submission .. • MassBank of North America, MoNA, submitted over 77k chemical substances and about 200k MS annotations to PubChem. Case study
- 18. Data submission .. MoNA data in PubChem ...
- 19. Data submission .. MoNA substance data parsing .. [{ "compound": [{ "inchi": "InChI=1S/C10H9ClN4O2S/c11-9-5-13-6-10(14-9)15-18(16,17)8-3-1- 7(12)2-4-8/h1-6H,12H2,(H,14,15)", "inchiKey": "QKLPUVXBJHRFQZ-UHFFFAOYSA-N", "metaData": [ { "category": "none", "computed": false, "hidden": false, "name": "SMILES", "value": "c1cc(ccc1N)S(=O)(=O)Nc2cncc(n2)Cl" }, { "category": "external id", "computed": false, "hidden": false, "name": "cas", "value": "102-65-8" }, { "category": "external id", "computed": false, "hidden": false,
- 21. Data submission .. MoNA annotation data parsing .. [{ "compound": [{ "inchi": "InChI=1S/C10H9ClN4O2S/c11-9-5-13-6-10(14-9)15- 18(16,17)8-3-1-7(12)2-4-8/h1-6H,12H2,(H,14,15)", "inchiKey": "QKLPUVXBJHRFQZ-UHFFFAOYSA-N", "metaData": [ { "category": "none", "computed": false, "hidden": false, "name": "SMILES", .... }], "id": "AU100601", …….. "splash": { "block1": "splash10", "block2": "0a4i", "block3": "1900000000", "block4": "d2bc1c887f6f99ed0f74", "splash": "splash10-0a4i-1900000000-d2bc1c887f6f99ed0f74" }, "submitter": { "id": "ntho@chem.uoa.gr", "emailAddress": "ntho@chem.uoa.gr", "firstName": "Nikolaos", "lastName": "Thomaidis", "institution": "University of Athens" }, "ruleBased": false, "text": "MassBank" } } }, .... DBs APIs
- 22. Annotation raw data formats from PubChem data submitters • CSV/spreadsheet - Pistoia Alliance Chemical Safety Library reactivity alerts, EPA pesticides, USGS Env … • HTML - ILO-ICSC, NIOSH, NCI cancer drugs, CAMEO … • Text – FDA Orangebook • XML – BioRad SpectraBase, HMDB, OSHA .. • Images – CCDC, MoNA, BioRad … • JSON – Springer Nature, … • Tables – HSDB ..
- 23. Automated pipeline • PubChem set up an automated data submission, parsing, standardization pipeline to update substance, bioactivity data, and annotations periodically. • Update can be monthly, weekly, or using a watcher .. • The data submission can be set to pull or push. • The raw data can be in form of SDF, CSV, text, json, xml, html, images …
- 24. Automated pipeline Cron jobs Raw data FTP / URL … DBs APIs Web pages FTP
- 25. Data accessing .. Open data free access • Website • APIs (programmatic access) • FTP download • Widgets • RDF
- 27. Who can send data to PubChem .... • Chemical vendors • Research institutes • Government agencies • Publishers • Universities • Pharma companies • Individual scientists... • ….
- 28. Summary • PubChem provides an open public data repository to allow submitters to upload chemical data. • There are total 623 data submitters including publishers, government agencies, research institutes, chemical vendors, universities, individual scientists... • PubChem provides an automated data uploading pipeline. • The raw data can be set to pull or push when submit data to PubChem.
- 29. Thanks you ... This research was supported by the Intramural Research Program of the NIH, National Library of Medicine. Josef Eiblmaier Dorothee Geppert Zoila Meza-Renken Jakob Ruhdorfer Evan Bolton Asta Gindulyte Ben Shoemaker Paul Thiessen Siqian He Bo Yu Jie Chen Tiejun Cheng Jane He Sunghwan Kim Leon Li Leonid Zaslavsky Sajjan Singh Mehta Gert Wohlgemuth Oliver Fiehn