How the web has weaved a web of interlinked chemistry data final
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The internet has provided access to unprecedented quantities of data. In the domain of chemistry specifically over the past decade the web has become populated with tens of millions of chemical structures and related properties of assays together with tens of thousands of spectra and syntheses. The data have, to a large extent, remained disparate and disconnected. In recent years with the wave of Web 2.0 participation any chemist can contribute to both the sharing and validation of chemistry-related data whether it be via Wikipedia, the online encyclopedia, or one of the multiple public compound databases. The presentation will offer a perspective of what is available today, our experiences of building a public compound database to link together the internet and a suggested path forward for enabling even greater integration and connectivity for chemistry data for the masses to both use and participate in developing.
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Improving online chemistry one structure at a time
Improving online chemistry one structure at a timeUS Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
RSC|ChemSpider is one of the world’s largest online resources for chemistry related data and services. Developed with the intention of delivering access to structure-based chemistry data via the internet the ChemSpider platform hosts over 26 million unique chemical compounds aggregated from over 400 data sources and provides an environment for the community to both annotate and curate these existing data as well as deposit new data to the system. The search system delivers flexible querying capabilities together with links to external sites for publication and patent data. ChemSpider has spawned a number of projects include ChemSpider SyntheticPages for hosting openly peer-reviewed chemical synthesis articles. This presentation will review the present capabilities of the ChemSpider system providing direct examples of how to use the system to source high quality data of value to pharmaceutical companies. We will discuss some of the challenges associated with validating data quality, examine how ChemSpider is a part of the semantic web for chemistry and investigate approaches to using ChemSpider integrated to analytical instrumentation.Delivering Curated Chemistry to the World via Crowdsourced Deposition and Ann...
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ChemSpider – A Platform to Gather, Host and Integrate Structure Based Data Ac...US Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
ChemSpider was developed with the intention of aggregating and indexing available sources of chemical structures and their associated information into a single searchable repository and making it available to everybody, at no charge. There are many tens of chemical structure databases such as literature data, chemical vendor catalogs, molecular properties, environmental data, toxicity data, analytical data etc. and no single way to search across them. Despite the diversity of databases available online their inherent quality, accuracy and completeness is lacking in many regards. ChemSpider was established to provide a platform whereby the chemistry community could contribute to cleaning up the data, improving the quality of data online and expanding the information available to include data such as reaction syntheses, analytical data and experimental properties. ChemSpider has now grown into a database of well over 20 million chemical substances integrated with over 300 disparate data sources, many of these directly supporting the Life Sciences. This presentation will provide an overview of our efforts to improve the quality of data online, to provide a foundation for the semantic web for chemistry and to provide access to a set online tools and services to support access to these data. I will also discuss how ChemSpider is being used to enhance Semantic Publishing in Chemistry at RSC. ChemSpider – A Crowdsourcing Environment for Hosting and Validating Chemistry...
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The document summarizes the vision and challenges of ChemSpider, a free online database for chemists. Key points:
- ChemSpider aims to connect chemistry online by allowing structure and substructure searching across databases and literature.
- It was built as a "hobby project" on limited resources but has grown significantly.
- Ensuring data quality is challenging due to errors inherited from other databases that propagate.
- Crowdsourcing curation and developing identification standards like InChI can help address data quality issues.
- Future work includes expanding search capabilities, curating more data sources, and developing collaborative curation.ChemSpider hosting linking and curating chemistry data for the community
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ChemSpider is one of the chemistry community’s primary online resources and allows scientists to search across 25 million unique chemical compounds linked out to over 400 original data sources and has become a central hub for searching for chemistry-related data. The platform however offers much more to the community and has become a central repository for analytical data, specifically spectra, is a host for community-authored chemical syntheses and facilitates data curation and annotation by any of its users. This presentation will provide an overview of the ChemSpider platform in terms of available data and its efforts to act as a public repository and clearing ground for data curation. We will discuss how such a platform, when coupled with game-based approaches, facilitates both teaching and data validation and will discuss whether public domain resources such as ChemSpider will ultimately become authorities for chemistry.
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This presentation was given at the EBI Meeting in Cambridge on October 11th 2011 regarding Chemical Registration and Standardization.Recommended
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ChemSpider was developed with the intention of aggregating and indexing available sources of chemical structures and their associated information into a single searchable repository and making it available to everybody, at no charge. There are many tens of chemical structure databases such as literature data, chemical vendor catalogs, molecular properties, environmental data, toxicity data, analytical data etc. and no single way to search across them. Despite the diversity of databases available online their inherent quality, accuracy and completeness is lacking in many regards. ChemSpider was established to provide a platform whereby the chemistry community could contribute to cleaning up the data, improving the quality of data online and expanding the information available to include data such as reaction syntheses, analytical data and experimental properties. ChemSpider has now grown into a database of well over 20 million chemical substances integrated with over 300 disparate data sources, many of these directly supporting the Life Sciences. This presentation will provide an overview of our efforts to improve the quality of data online, to provide a foundation for the semantic web for chemistry and to provide access to a set online tools and services to support access to these data. I will also discuss how ChemSpider is being used to enhance Semantic Publishing in Chemistry at RSC. ChemSpider – A Crowdsourcing Environment for Hosting and Validating Chemistry...
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The document summarizes the vision and challenges of ChemSpider, a free online database for chemists. Key points:
- ChemSpider aims to connect chemistry online by allowing structure and substructure searching across databases and literature.
- It was built as a "hobby project" on limited resources but has grown significantly.
- Ensuring data quality is challenging due to errors inherited from other databases that propagate.
- Crowdsourcing curation and developing identification standards like InChI can help address data quality issues.
- Future work includes expanding search capabilities, curating more data sources, and developing collaborative curation.ChemSpider hosting linking and curating chemistry data for the community
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Delivering Curated Chemistry to the World via Crowdsourced Deposition and Ann...US Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
RSC|ChemSpider is one of the world’s largest online resources for chemistry related data and services. Developed with the intention of delivering access to structure-based chemistry data via the internet the ChemSpider platform hosts over 26 million unique chemical compounds aggregated from over 400 data sources and provides an environment for the community to both annotate and curate these existing data as well as deposit new data to the system. The search system delivers flexible querying capabilities together with links to external sites for publication and patent data. This presentation will review the present capabilities of the ChemSpider system providing direct examples of how to use the system to source high quality data of value to chemists. We will discuss some of the challenges associated with validating data quality and examine how ChemSpider is a part of the new “semantic web for chemistry”. ChemSpider has also spawned a number of additional projects include ChemSpider SyntheticPages for hosting openly peer-reviewed chemical synthesis articles, Learn Chemistry Wiki for students learning chemistry and SpectraSchool for learning spectroscopy.Sourcing high quality online data resources for computational toxicology
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ChemSpider as a Foundation for Crowdsourcing and Collaborations in Open Chemi...US Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
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RSC ChemSpider is the online chemistry database where community contributions...US Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
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ChemSpider – A Community Platform for Chemistry and Resources Supporting the ...US Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
ChemSpider was developed with the intention of aggregating and indexing available sources of chemical structures and their associated information into a single searchable repository and making it available to everybody, at no charge. There are many tens of chemical structure databases such as literature data, chemical vendor catalogs, molecular properties, environmental data, toxicity data, analytical data etc. and no single way to search across them. Despite the diversity of databases available online their inherent quality, accuracy and completeness is lacking in many regards. ChemSpider was established to provide a platform whereby the chemistry community could contribute to cleaning up the data, improving the quality of data online and expanding the information available to include data such as reaction syntheses, analytical data and experimental properties. ChemSpider has now grown into a database of over 20 million chemical substances integrated with over 300 disparate data sources, many of these directly supporting the Life Sciences. This presentation will provide an overview of our efforts to improve the quality of data online, to provide a foundation for the semantic web for chemistry and to provide access to a set online tools and services to support access to these data. I will also discuss how ChemSpider is being used to enhance Semantic Publishing in Chemistry at RSC.
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ChemSpider - Building a Foundation for the Semantic Web by Hosting a Crowd So...US Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
There is an increasing availability of free and open access resources for chemists to use on the internet. Coupled with the increasing availability of Open Source software tools we are in the middle of a revolution in data availability and tools to manipulate these data. ChemSpider is a free access website for chemists built with the intention of providing a structure centric community for chemists. It was developed with the intention of aggregating and indexing available sources of chemical structures and their associated information into a single searchable repository and making it available to everybody, at no charge.
There are tens if not hundreds of chemical structure databases such as literature data, chemical vendor catalogs, molecular properties, environmental data, toxicity data, analytical data etc. and no single way to search across them. Despite the fact that there were a large number of databases containing chemical compounds and data available online their inherent quality, accuracy and completeness was lacking in many regards. The intention with ChemSpider was to provide a platform whereby the chemistry community could contribute to cleaning up the data, improving the quality of data online and expanding the information available to include data such as reaction syntheses, analytical data, experimental properties and linking to other valuable resources. It has grown into a resource containing over 21 million unique chemical structures from over 200 data sources.
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Zmasek TOPSAN Biohackathon 2011
This document provides an overview of TOPSAN (The Open Protein Structure Annotation Network). TOPSAN is a database that provides extensive annotations for nearly 10,000 protein structures solved by structural genomics centers. It combines automated and human-edited annotations and characterizes single proteins, protein families, and entire genomes. The document explains that TOPSAN uses semantic web principles to connect curated and automatic annotations to other analysis tools and databases, allowing the TOPSAN content to be searched, exported, and analyzed as part of the larger web of biological data.
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The document discusses the issue of quality and accuracy of chemical structure information online. It presents ChemSpider, a platform for chemical structure data deposition, curation and linking to other online sources. ChemSpider aims to address the problem of incorrect and inconsistent chemical structure data across different websites through features like chemical structure markup, validation using InChI identifiers, and collaborative curation efforts. The goal is to build a single point of reference for reliable chemical structure information on the internet.Clustering the royal society of chemistry chemical repository to enable enhan...
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Delivering Curated Chemistry to the World via Crowdsourced Deposition and Ann...
Delivering Curated Chemistry to the World via Crowdsourced Deposition and Ann...US Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
RSC|ChemSpider is one of the world’s largest online resources for chemistry related data and services. Developed with the intention of delivering access to structure-based chemistry data via the internet the ChemSpider platform hosts over 26 million unique chemical compounds aggregated from over 400 data sources and provides an environment for the community to both annotate and curate these existing data as well as deposit new data to the system. The search system delivers flexible querying capabilities together with links to external sites for publication and patent data. This presentation will review the present capabilities of the ChemSpider system providing direct examples of how to use the system to source high quality data of value to chemists. We will discuss some of the challenges associated with validating data quality and examine how ChemSpider is a part of the new “semantic web for chemistry”. ChemSpider has also spawned a number of additional projects include ChemSpider SyntheticPages for hosting openly peer-reviewed chemical synthesis articles, Learn Chemistry Wiki for students learning chemistry and SpectraSchool for learning spectroscopy.Sourcing high quality online data resources for computational toxicology
Sourcing high quality online data resources for computational toxicologyUS Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
The internet continues to offer increased access to chemistry data that may be of value to scientists interested in populating systems containing reference toxicology data as well as to provide data for the development of predictive models. This presentation will give an overview of some of the various sources of data available via the internet, provide an overview of some of the challenges associated with gathering high-quality data and discuss methods by which to mesh together disparate data sources.ChemSpider as a Foundation for Crowdsourcing and Collaborations in Open Chemi...
ChemSpider as a Foundation for Crowdsourcing and Collaborations in Open Chemi...US Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
This was a presentation I gave to an audience at Nature Publishing Group in New York on May 7th 2009. It's a long presentation and over an hour in length. Not much new here relative to other presentations...just a knitting together of many of the others on here.
There is an increasing availability of free and open access resources for scientists to use on the internet. Coupled with an increasing number of Open Source software programs we are in the middle of a revolution in data availability and tools to manipulate these data. ChemSpider is a free access website built with the intention of providing a structure centric community for chemists. As an aggregator of chemistry related information from many sources, at present over 21.5 million unique chemical entities from over 190 separate data sources, ChemSpider has taken on the task of both robotically and manually integrating and curating publicly available data sources. ChemSpider has also provided an environment for users to deposit, curate and annotate chemistry-related information. This has allowed the community to enhance ChemSpider by adding analytical data, associating synthetic pathways and publications and connecting to social networking resources. I will discuss how ChemSpider is fast becoming the premier curated platform and centralized hub for resourcing information about chemical entities and how the platform provides the foundation data for services allowing the analysis of analytical data and collaborative science.Building A Community Resource For The Life Sciences
Building A Community Resource For The Life SciencesUS Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
This is a presentation given in Track 4, Open Access and Cheminformatics, at the Bio-IT Meeting in Boston on April 21st 2010. It is a general overview of ChemSpider activities to link together the internet for chemists and validate and curate data. We won the Bio-IT Best Practices Community Service Award that evening also.Ebi public meeting on internet chemistry databases november 2010
Ebi public meeting on internet chemistry databases november 2010US Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
ChemSpider is a chemical structure database that links and integrates data from over 400 online chemistry resources. It contains almost 25 million compounds and allows users to search, deposit, and curate chemical data. While public databases contain errors inherited from their sources, ChemSpider facilitates collaborative data curation by community members to help address these issues.RSC ChemSpider -- Managing and Integrating Chemistry on the Internet to Build...
RSC ChemSpider -- Managing and Integrating Chemistry on the Internet to Build...US Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
The document discusses the challenges of searching for chemistry information online and proposes a vision for improving chemistry searches through a structure-centric approach. It outlines ChemSpider's efforts to integrate chemistry data from various sources on the internet by linking them through chemical structures and InChI identifiers. This allows substructure and skeleton searches that can find more information than text searches. It encourages contributions from students and researchers to add chemical data, curate existing data, and help build ChemSpider into a comprehensive resource for chemistry information on the internet.RSC ChemSpider is the online chemistry database where community contributions...
RSC ChemSpider is the online chemistry database where community contributions...US Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
The ChemSpider database is a resource hosted by the Royal Society of Chemistry. With over 28 million unique chemicals on the database linked out to over 400 data sources the platform provides access to experimental and predicted data (properties, spectra etc.), links to publications, patents and a myriad of other resources. The ChemSpider database has been used as the foundation of a number of other resources for chemists including ChemSpider SyntheticPages, the Learn Chemistry Wiki and the Spectral Game. This presentation will provide an overview of ChemSpider and discuss how chemists can both derive value from and contribute to the content available from the database and its related resources. We will also discuss our view of future platform for managing personal, institutional and public chemistry in a shared environment.ChemSpider – A Community Platform for Chemistry and Resources Supporting the ...
ChemSpider – A Community Platform for Chemistry and Resources Supporting the ...US Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
ChemSpider was developed with the intention of aggregating and indexing available sources of chemical structures and their associated information into a single searchable repository and making it available to everybody, at no charge. There are many tens of chemical structure databases such as literature data, chemical vendor catalogs, molecular properties, environmental data, toxicity data, analytical data etc. and no single way to search across them. Despite the diversity of databases available online their inherent quality, accuracy and completeness is lacking in many regards. ChemSpider was established to provide a platform whereby the chemistry community could contribute to cleaning up the data, improving the quality of data online and expanding the information available to include data such as reaction syntheses, analytical data and experimental properties. ChemSpider has now grown into a database of over 20 million chemical substances integrated with over 300 disparate data sources, many of these directly supporting the Life Sciences. This presentation will provide an overview of our efforts to improve the quality of data online, to provide a foundation for the semantic web for chemistry and to provide access to a set online tools and services to support access to these data. I will also discuss how ChemSpider is being used to enhance Semantic Publishing in Chemistry at RSC.
The Great Promise of Online Data for Chemistry and the Life Sciences
The Great Promise of Online Data for Chemistry and the Life Sciences US Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
This is the presentation I gave at the Silverchair Colloquium at Keswick Hall in Charlottesville. This presentation Navigating the Complex Web of Chemistry Using ChemSpider
Navigating the Complex Web of Chemistry Using ChemSpiderUS Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
There is an increasing availability of free and open access resources for scientists to use on the internet. Coupled with the increasing availability of Open Source software tools we are in the middle of a revolution in data availability and tools to manipulate these data. ChemSpider is a free access website for chemists built with the intention of providing a structure centric community for chemists. As an aggregator of chemistry related information from many sources, at present over 21.5 million unique chemical entities from over 200 separate data sources, ChemSpider has taken on the task of both robotically and manually curating publicly available data sources. This presentation will provide an overview of the ChemSpider platform and how it is fast becoming the centralized hub for resourcing information about chemical entities. The expansive reach of ChemSpider as a resource for the chemistry community
The expansive reach of ChemSpider as a resource for the chemistry communityUS Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
Our access to scientific information has changed in ways that were hardly imagined even by the early pioneers of the internet. The immense quantities of data and the array of tools available to search and analyze online content continues to expand while the pace of change does not appear to be slowing. ChemSpider is one of the chemistry community’s primary online public compound databases. Containing tens of millions of chemical compounds and its associated data ChemSpider serves data tens of thousands of chemists every day and it serves as the foundation for many important international projects to integrate chemistry and biology data, facilitate drug discovery efforts and help to identify new chemicals from under the ocean. This presentation will provide an overview of the expanding reach of the ChemSpider platform and the nature of the solutions that it helps to enable. We will also discuss the possibilities it offers in the domain of crowdsourcing and open data sharing. The future of scientific information and communication will be underpinned by these efforts, influenced by increasing participation from the scientific community and facilitated collaboration and ultimately accelerate scientific progress.ChemSpider - Does Community Engagement work to Build a Quality Online Resourc...
ChemSpider - Does Community Engagement work to Build a Quality Online Resourc...US Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
The document discusses ChemSpider, a free online chemical database, and its efforts to engage the chemistry community to help build and curate its database. It describes ChemSpider's roles in hosting and exposing chemical data as well as curating submitted data. It acknowledges that while crowdsourcing engagement has been low, more collaboration across databases could help improve overall data quality. Continued growth will depend on better engaging the community to contribute to and help shape the resource.ChemSpider - Building a Crowdsourced Chemical Database for the Chemistry Comm...
ChemSpider - Building a Crowdsourced Chemical Database for the Chemistry Comm...US Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
This is the presentation I gave at OpenSciNY 2010. It was a great gathering of Librarians and people interested in Open Science. Sharing the stage with Beth Brown Jean-Claude Bradley and Heather Joseph was, as usual, a good opportunity to discuss how openness and online data sharing is changing the way we access and share data. We live in interesting and exciting times.ChemSpider - Building a Foundation for the Semantic Web by Hosting a Crowd So...
ChemSpider - Building a Foundation for the Semantic Web by Hosting a Crowd So...US Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
There is an increasing availability of free and open access resources for chemists to use on the internet. Coupled with the increasing availability of Open Source software tools we are in the middle of a revolution in data availability and tools to manipulate these data. ChemSpider is a free access website for chemists built with the intention of providing a structure centric community for chemists. It was developed with the intention of aggregating and indexing available sources of chemical structures and their associated information into a single searchable repository and making it available to everybody, at no charge.
There are tens if not hundreds of chemical structure databases such as literature data, chemical vendor catalogs, molecular properties, environmental data, toxicity data, analytical data etc. and no single way to search across them. Despite the fact that there were a large number of databases containing chemical compounds and data available online their inherent quality, accuracy and completeness was lacking in many regards. The intention with ChemSpider was to provide a platform whereby the chemistry community could contribute to cleaning up the data, improving the quality of data online and expanding the information available to include data such as reaction syntheses, analytical data, experimental properties and linking to other valuable resources. It has grown into a resource containing over 21 million unique chemical structures from over 200 data sources.
ChemSpider has enabled real time curation of the data, association of analytical data with chemical structures, real-time deposition of single or batch chemical structures (including with activity data) and transaction-based predictions of physicochemical data. The social community aspects of the system demonstrate the potential of this approach. Curation of the data continues daily and thousands of edits and depositions by members of the community have dramatically improved the quality of the data relative to other public resources for chemistry.
This presentation will provide an overview of the history of ChemSpider, the present capabilities of the platform and how it can become one of the primary foundations of the semantic web for chemistry. It will also discuss some of the present projects underway since the acquisition of ChemSpider by the Royal Society of Chemistry.
Zmasek TOPSAN Biohackathon 2011
This document provides an overview of TOPSAN (The Open Protein Structure Annotation Network). TOPSAN is a database that provides extensive annotations for nearly 10,000 protein structures solved by structural genomics centers. It combines automated and human-edited annotations and characterizes single proteins, protein families, and entire genomes. The document explains that TOPSAN uses semantic web principles to connect curated and automatic annotations to other analysis tools and databases, allowing the TOPSAN content to be searched, exported, and analyzed as part of the larger web of biological data.
Crowdsourcing, Collaborations and Text-Mining in a World of Open Chemistry
Crowdsourcing, Collaborations and Text-Mining in a World of Open Chemistry US Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
The document discusses the issue of quality and accuracy of chemical structure information online. It presents ChemSpider, a platform for chemical structure data deposition, curation and linking to other online sources. ChemSpider aims to address the problem of incorrect and inconsistent chemical structure data across different websites through features like chemical structure markup, validation using InChI identifiers, and collaborative curation efforts. The goal is to build a single point of reference for reliable chemical structure information on the internet.What's hot (18)
ChemSpider and How The Wisdom Of The Crowds Can Improve The Quality Of ...
ChemSpider and How The Wisdom Of The Crowds Can Improve The Quality Of ...
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Ebi public meeting on internet chemistry databases november 2010
Ebi public meeting on internet chemistry databases november 2010
RSC ChemSpider -- Managing and Integrating Chemistry on the Internet to Build...
RSC ChemSpider -- Managing and Integrating Chemistry on the Internet to Build...
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ChemSpider – A Community Platform for Chemistry and Resources Supporting the ...
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Navigating the Complex Web of Chemistry Using ChemSpider
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The Royal Society of Chemistry has hosted the ChemSpider database and associated platforms for over five years. Technologies made significant progress over that period but, more importantly, the community needs in terms of the variety of data types as well as search performance have increased. The preprocessing of chemicals for improved similarity searching and compound database navigation is seen as one crucial component of major development efforts to architect a new data repository. This component is engineered and implemented in collaboration with the group of Professor Oliver Kohlbacher at University of Tübingen. They have developed an approach for clustering large chemical libraries based on a fast, parallel, and purely CPU-based algorithm for 2D binary fingerprint similarity calculation. Using this method, the complete similarity network of our seed set with tens of millions of chemicals has been analyzed at a Tanimoto threshold of 0.6 and all similarity links were fed into our database. The latter is highly beneficial and will allow us to create more complex and enriching visualizations of similar compounds with associated bioactivity data and physicochemical properties for the RSC chemical repository users. This presentation will provide an overview of our experiences in applying clustering to our compound data and how it will be used to enrich data navigation on the RSC data repository.
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We live in an exponentially expanding world of “big data”. Social networks, global portals and other distributed systems have been attempting to deal with the problem for a few years now. Scientific applications are commonly lagging behind the mainstream trends due to the complexity of the scientific domain. The Royal Society of Chemistry is building the Global Chemistry Network connecting a variety of resources both in-house and external, bridging gaps and advancing the chemical sciences. One of the main issues connected to the world of big data is the ease of navigation and comprehensiveness of the search capabilities. This is where the approach of the semantic web meets the world of big data. We will present our approaches in building a global federated chemistry platform connecting multiple domains of chemistry using semantic web technologies.
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The document describes the ChAMP project, which aims to develop a standard set of metadata for representing and annotating chemical analysis information. It discusses the motivation being to facilitate searching and aggregation of analysis data across literature, publications and repositories. The standard would define important characteristics and metadata about analysis methodologies in a way that is easy for users to implement across disciplines. It outlines the key components including developing an ontology of chemical analysis terms and minimum metadata requirements for annotation.
Supporting the exploding dimensions of the chemical sciences via global netwo...
The Royal Society of Chemistry is building is a comprehensive federated platform for chemical informatics in a Big Research Data world. The resulting platform is a blend of social, informatics and knowledge components which itself produces new dimensions in the chemical sciences to support activities such as Open Innovation and sharing of data. The platform itself would be isolated and insular unless a broad collaboration between societies, industry and universities is created in a federated and open way. In this presentation we will talk about one of these efforts, between RSC and Moscow State University, to facilitate the development, population and use of a global networking platform for the chemical sciences.
ACS 248th Paper 136 JSmol/JSpecView Eureka Integration
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The document discusses finding new uses for existing drugs through repurposing or repositioning old drugs. It notes that repurposing drugs can be more cost-effective than developing new drugs and can help address neglected and rare diseases. The document analyzes datasets of drugs identified in in vitro screens to have new biological activities and orphan drugs approved for rare diseases. It finds that drugs identified in screens tend to be more hydrophobic and higher weight than orphan drugs. It advocates for developing better curated databases of drug structures and properties to enable in silico screening for new uses. Overall, the document makes the case that repurposing existing drugs is a promising strategy to develop new treatments, especially for rare and neglected diseases, and that informatics
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ACS 248th Paper 71 ChAMP Project
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ChemSpider -Connecting and Curating Online Chemistry Resources
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This is a presentation given at the European Informatics Institute (EBI), in Cambridge on December 1st 2010. This was at an EMBL-EBI Industry Program Workshop regarding "Chemical Structure Resources". This is where I unveiled details regarding the intra/inter-validation studies validating drug structures on multiple public domain chemistry databases. I also unveiled early results regarding the SurveyMonkey study of "trust" that the community has about public domain chemistry resourcesAZ of Chemspider February 2011
The document summarizes the vision and challenges of ChemSpider, a free online database for chemists. Key points:
- ChemSpider aims to connect chemistry online by allowing searches by chemical structure and linking to related data across the web.
- It was built as a "hobby project" on limited resources but has grown significantly.
- Ensuring data quality is a major challenge due to errors inherited from other databases. Extensive curation is needed.
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- Future work includes continued curation, improved search capabilities, and collaborative data cleaning across databases.
Chemspider hosting linking and curating chemistry data for the community
- ChemSpider is a website that hosts and links chemistry data from across the internet in order to integrate information based on chemical structures. It allows users to contribute and curate data.
- The site contains over 26 million unique chemicals linked from over 420 sources. It grows daily through community contributions and annotations. Users can help identify errors, edit names and synonyms, and flag records for removal.
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This is a presentation given to the Royal Society General Assembly in Birmingham on November 20th 2009. This covers the present status and future vision for ChemSpiderCrawling Across the Web of Chemistry Using ChemSpider
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ChemSpider is a free access website for chemists built with the intention of providing a structure centric community for chemists. It was developed to index available sources of chemical structures and their associated data into a single searchable repository and making it available to everybody, at no charge. While there are a large number of databases containing chemical compounds and data available online their inherent quality, accuracy and completeness is severely lacking. ChemSpider has provided a platform so that the chemistry community could contribute to improving the quality of data online and expanding the information to include data such as reaction syntheses, analytical data, experimental properties and linkages to other valuable resources. It has grown into a resource containing over 21 million unique chemical structures from over 200 data sources.
This presentation will provide an overview of ChemSpider and its value to chemists as a search tool, as a public repository of information and how it can become one of the primary foundations of internet-based chemistry. I will also discuss the vision for ChemSpider and some of the lofty goals we are setting for the system moving forward.
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These are the slides I will be giving here at the Science Commons Symposium Pacific Northwest at the Microsoft Campus here in Redmond in about 5 minutes timeWhy Chemistry and the Web Will Benefit from a ChemSpider
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ChemSpider is a free access website for chemists built with the vision of providing a structure centric community for chemists. Vision is great…execution is better. ChemSpider is now one of the internet’s primary portals for chemistry offering access to over 23 million unique chemical structures from over 200 data sources and expanding daily. Even though there are tens if not hundreds of chemical structure databases such as literature data, chemical vendor catalogs, molecular properties, environmental data, toxicity data, analytical data etc. there has been no single way to search across them. Despite the fact that there are a large number of databases containing chemical compounds and data available online their inherent quality, accuracy and completeness remains lacking in many regards. With ChemSpider we have provided a platform whereby the chemistry community could contribute to cleaning up the data, improving the quality of data online and expanding the information available to include data such as reaction syntheses, analytical data, experimental properties and linking to other valuable resources.
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The presentation of ChemSpider was to a groub of science librarians, specifically chemistry librarians, and was meant to provide an overview of the platform and answer the question posed: What is the difference between ChemSpider, CAS Scifinder and Reaxys. How Community Crowdsourcing and Social Networking is Helping to Build a Quali...
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With an intention to provide a free internet resource of chemistry related data for the community, ChemSpider provides an online database of chemical compounds, reaction syntheses and related data. Members of the community can contribute to the database via the deposition of chemical structures, synthesis procedures and analytical data. Data are also aggregated from many other depositors, at present over 400 data sources. The aggregation of data associated with over 25 million chemical compounds does not come without data quality issues. By engaging the community to curate the data the quality continues to improve on a daily basis. The presentation will provide an overview of our ongoing efforts to expand and curate the database. Using a combination of game-based and recognition systems as well as our dependence on societal giveaway by the community ChemSpider continues its path to become a high quality resource and foundation for the semantic web for chemistry.A Presentation at Nature Publishing Group Crowdsourcing, Collaborations and T...
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This document discusses ChemSpider, a free chemical structure database that aggregates and connects chemistry data from across the internet. ChemSpider aims to be a central hub for chemical data by standardizing structures, connecting related data and services, and enhancing data through predictions. It provides access to data on millions of compounds, including properties of the herbicide Roundup. While useful, ChemSpider has limitations from errors in source data and issues with standardizing complex molecules. Future work includes improving data quality, developing a validation platform, and adding predictive capabilities and repository functions.Hosting a compound centric community resource for chemistry data
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Laboratories around the world continue to generate immense amounts of data that are non-proprietary and of value to the community. If available these data could dramatically reduce costs by minimizing rework and ultimately facilitating faster research. High quality reference data collections of chemical compound dictionaries, properties and spectra have been generated over many decades. With the advent of social networking tools and platforms such as Wikipedia, the community has an opportunity to contribute. The ChemSpider platform hosted by the Royal Society of Chemistry is a compound centric database with associated data. Already populated with almost 25 million unique compounds the community can deposit and host their own data, and curate and annotate existing data including those generated in Open Notebook Science Efforts. This presentation will provide an overview of progress to date and outline the vision of this community platform for chemistry and ensuring the longevity of chemistry reference data. ChemSpider as a Platform for Crowd Participation in Curating Chemistry
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Connector Corner: Seamlessly power UiPath Apps, GenAI with prebuilt connectors
Join us to learn how UiPath Apps can directly and easily interact with prebuilt connectors via Integration Service--including Salesforce, ServiceNow, Open GenAI, and more.
The best part is you can achieve this without building a custom workflow! Say goodbye to the hassle of using separate automations to call APIs. By seamlessly integrating within App Studio, you can now easily streamline your workflow, while gaining direct access to our Connector Catalog of popular applications.
We’ll discuss and demo the benefits of UiPath Apps and connectors including:
Creating a compelling user experience for any software, without the limitations of APIs.
Accelerating the app creation process, saving time and effort
Enjoying high-performance CRUD (create, read, update, delete) operations, for
seamless data management.
Speakers:
Russell Alfeche, Technology Leader, RPA at qBotic and UiPath MVP
Charlie Greenberg, host
FREE A4 Cyber Security Awareness Posters-Social Engineering part 3
Free A4 downloadable and printable Cyber Security, Social Engineering Safety and security Training Posters . Promote security awareness in the home or workplace. Lock them Out From training providers datahops.com
HCL Notes und Domino Lizenzkostenreduzierung in der Welt von DLAU
Webinar Recording: https://www.panagenda.com/webinars/hcl-notes-und-domino-lizenzkostenreduzierung-in-der-welt-von-dlau/
DLAU und die Lizenzen nach dem CCB- und CCX-Modell sind für viele in der HCL-Community seit letztem Jahr ein heißes Thema. Als Notes- oder Domino-Kunde haben Sie vielleicht mit unerwartet hohen Benutzerzahlen und Lizenzgebühren zu kämpfen. Sie fragen sich vielleicht, wie diese neue Art der Lizenzierung funktioniert und welchen Nutzen sie Ihnen bringt. Vor allem wollen Sie sicherlich Ihr Budget einhalten und Kosten sparen, wo immer möglich. Das verstehen wir und wir möchten Ihnen dabei helfen!
Wir erklären Ihnen, wie Sie häufige Konfigurationsprobleme lösen können, die dazu führen können, dass mehr Benutzer gezählt werden als nötig, und wie Sie überflüssige oder ungenutzte Konten identifizieren und entfernen können, um Geld zu sparen. Es gibt auch einige Ansätze, die zu unnötigen Ausgaben führen können, z. B. wenn ein Personendokument anstelle eines Mail-Ins für geteilte Mailboxen verwendet wird. Wir zeigen Ihnen solche Fälle und deren Lösungen. Und natürlich erklären wir Ihnen das neue Lizenzmodell.
Nehmen Sie an diesem Webinar teil, bei dem HCL-Ambassador Marc Thomas und Gastredner Franz Walder Ihnen diese neue Welt näherbringen. Es vermittelt Ihnen die Tools und das Know-how, um den Überblick zu bewahren. Sie werden in der Lage sein, Ihre Kosten durch eine optimierte Domino-Konfiguration zu reduzieren und auch in Zukunft gering zu halten.
Diese Themen werden behandelt
- Reduzierung der Lizenzkosten durch Auffinden und Beheben von Fehlkonfigurationen und überflüssigen Konten
- Wie funktionieren CCB- und CCX-Lizenzen wirklich?
- Verstehen des DLAU-Tools und wie man es am besten nutzt
- Tipps für häufige Problembereiche, wie z. B. Team-Postfächer, Funktions-/Testbenutzer usw.
- Praxisbeispiele und Best Practices zum sofortigen Umsetzen
Energy Efficient Video Encoding for Cloud and Edge Computing Instances
Energy Efficient Video Encoding for Cloud and Edge Computing Instances
Building Production Ready Search Pipelines with Spark and Milvus
Spark is the widely used ETL tool for processing, indexing and ingesting data to serving stack for search. Milvus is the production-ready open-source vector database. In this talk we will show how to use Spark to process unstructured data to extract vector representations, and push the vectors to Milvus vector database for search serving.
[OReilly Superstream] Occupy the Space: A grassroots guide to engineering (an...
The typical problem in product engineering is not bad strategy, so much as “no strategy”. This leads to confusion, lack of motivation, and incoherent action. The next time you look for a strategy and find an empty space, instead of waiting for it to be filled, I will show you how to fill it in yourself. If you’re wrong, it forces a correction. If you’re right, it helps create focus. I’ll share how I’ve approached this in the past, both what works and lessons for what didn’t work so well.
Generating privacy-protected synthetic data using Secludy and Milvus
During this demo, the founders of Secludy will demonstrate how their system utilizes Milvus to store and manipulate embeddings for generating privacy-protected synthetic data. Their approach not only maintains the confidentiality of the original data but also enhances the utility and scalability of LLMs under privacy constraints. Attendees, including machine learning engineers, data scientists, and data managers, will witness first-hand how Secludy's integration with Milvus empowers organizations to harness the power of LLMs securely and efficiently.
JavaLand 2024: Application Development Green Masterplan
My presentation slides I used at JavaLand 2024
Digital Banking in the Cloud: How Citizens Bank Unlocked Their Mainframe
Inconsistent user experience and siloed data, high costs, and changing customer expectations – Citizens Bank was experiencing these challenges while it was attempting to deliver a superior digital banking experience for its clients. Its core banking applications run on the mainframe and Citizens was using legacy utilities to get the critical mainframe data to feed customer-facing channels, like call centers, web, and mobile. Ultimately, this led to higher operating costs (MIPS), delayed response times, and longer time to market.
Ever-changing customer expectations demand more modern digital experiences, and the bank needed to find a solution that could provide real-time data to its customer channels with low latency and operating costs. Join this session to learn how Citizens is leveraging Precisely to replicate mainframe data to its customer channels and deliver on their “modern digital bank” experiences.
TrustArc Webinar - 2024 Global Privacy Survey
How does your privacy program stack up against your peers? What challenges are privacy teams tackling and prioritizing in 2024?
In the fifth annual Global Privacy Benchmarks Survey, we asked over 1,800 global privacy professionals and business executives to share their perspectives on the current state of privacy inside and outside of their organizations. This year’s report focused on emerging areas of importance for privacy and compliance professionals, including considerations and implications of Artificial Intelligence (AI) technologies, building brand trust, and different approaches for achieving higher privacy competence scores.
See how organizational priorities and strategic approaches to data security and privacy are evolving around the globe.
This webinar will review:
- The top 10 privacy insights from the fifth annual Global Privacy Benchmarks Survey
- The top challenges for privacy leaders, practitioners, and organizations in 2024
- Key themes to consider in developing and maintaining your privacy program
Skybuffer SAM4U tool for SAP license adoption
Manage and optimize your license adoption and consumption with SAM4U, an SAP free customer software asset management tool.
SAM4U, an SAP complimentary software asset management tool for customers, delivers a detailed and well-structured overview of license inventory and usage with a user-friendly interface. We offer a hosted, cost-effective, and performance-optimized SAM4U setup in the Skybuffer Cloud environment. You retain ownership of the system and data, while we manage the ABAP 7.58 infrastructure, ensuring fixed Total Cost of Ownership (TCO) and exceptional services through the SAP Fiori interface.
How to Interpret Trends in the Kalyan Rajdhani Mix Chart.pdf
A Mix Chart displays historical data of numbers in a graphical or tabular form. The Kalyan Rajdhani Mix Chart specifically shows the results of a sequence of numbers over different periods.
Digital Marketing Trends in 2024 | Guide for Staying Ahead
https://www.wask.co/ebooks/digital-marketing-trends-in-2024
Feeling lost in the digital marketing whirlwind of 2024? Technology is changing, consumer habits are evolving, and staying ahead of the curve feels like a never-ending pursuit. This e-book is your compass. Dive into actionable insights to handle the complexities of modern marketing. From hyper-personalization to the power of user-generated content, learn how to build long-term relationships with your audience and unlock the secrets to success in the ever-shifting digital landscape.
Biomedical Knowledge Graphs for Data Scientists and Bioinformaticians
Dmitrii Kamaev, PhD
Senior Product Owner - QIAGEN
Your One-Stop Shop for Python Success: Top 10 US Python Development Providers
Simplify your search for a reliable Python development partner! This list presents the top 10 trusted US providers offering comprehensive Python development services, ensuring your project's success from conception to completion.
Monitoring and Managing Anomaly Detection on OpenShift.pdf
Monitoring and Managing Anomaly Detection on OpenShift
Overview
Dive into the world of anomaly detection on edge devices with our comprehensive hands-on tutorial. This SlideShare presentation will guide you through the entire process, from data collection and model training to edge deployment and real-time monitoring. Perfect for those looking to implement robust anomaly detection systems on resource-constrained IoT/edge devices.
Key Topics Covered
1. Introduction to Anomaly Detection
- Understand the fundamentals of anomaly detection and its importance in identifying unusual behavior or failures in systems.
2. Understanding Edge (IoT)
- Learn about edge computing and IoT, and how they enable real-time data processing and decision-making at the source.
3. What is ArgoCD?
- Discover ArgoCD, a declarative, GitOps continuous delivery tool for Kubernetes, and its role in deploying applications on edge devices.
4. Deployment Using ArgoCD for Edge Devices
- Step-by-step guide on deploying anomaly detection models on edge devices using ArgoCD.
5. Introduction to Apache Kafka and S3
- Explore Apache Kafka for real-time data streaming and Amazon S3 for scalable storage solutions.
6. Viewing Kafka Messages in the Data Lake
- Learn how to view and analyze Kafka messages stored in a data lake for better insights.
7. What is Prometheus?
- Get to know Prometheus, an open-source monitoring and alerting toolkit, and its application in monitoring edge devices.
8. Monitoring Application Metrics with Prometheus
- Detailed instructions on setting up Prometheus to monitor the performance and health of your anomaly detection system.
9. What is Camel K?
- Introduction to Camel K, a lightweight integration framework built on Apache Camel, designed for Kubernetes.
10. Configuring Camel K Integrations for Data Pipelines
- Learn how to configure Camel K for seamless data pipeline integrations in your anomaly detection workflow.
11. What is a Jupyter Notebook?
- Overview of Jupyter Notebooks, an open-source web application for creating and sharing documents with live code, equations, visualizations, and narrative text.
12. Jupyter Notebooks with Code Examples
- Hands-on examples and code snippets in Jupyter Notebooks to help you implement and test anomaly detection models.
Introduction of Cybersecurity with OSS at Code Europe 2024
I develop the Ruby programming language, RubyGems, and Bundler, which are package managers for Ruby. Today, I will introduce how to enhance the security of your application using open-source software (OSS) examples from Ruby and RubyGems.
The first topic is CVE (Common Vulnerabilities and Exposures). I have published CVEs many times. But what exactly is a CVE? I'll provide a basic understanding of CVEs and explain how to detect and handle vulnerabilities in OSS.
Next, let's discuss package managers. Package managers play a critical role in the OSS ecosystem. I'll explain how to manage library dependencies in your application.
I'll share insights into how the Ruby and RubyGems core team works to keep our ecosystem safe. By the end of this talk, you'll have a better understanding of how to safeguard your code.
Apps Break Data
How information systems are built or acquired puts information, which is what they should be about, in a secondary place. Our language adapted accordingly, and we no longer talk about information systems but applications. Applications evolved in a way to break data into diverse fragments, tightly coupled with applications and expensive to integrate. The result is technical debt, which is re-paid by taking even bigger "loans", resulting in an ever-increasing technical debt. Software engineering and procurement practices work in sync with market forces to maintain this trend. This talk demonstrates how natural this situation is. The question is: can something be done to reverse the trend?
What is an RPA CoE? Session 1 – CoE Vision
In the first session, we will review the organization's vision and how this has an impact on the COE Structure.
Topics covered:
• The role of a steering committee
• How do the organization’s priorities determine CoE Structure?
Speaker:
Chris Bolin, Senior Intelligent Automation Architect Anika Systems
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How the web has weaved a web of interlinked chemistry data final
- 1. How the Web Has Weaved a Web of Interlinked Chemistry Data Antony Williams ACS Anaheim March 29 th 2011
- 2. Data on the Web
- 4. How to Connect Chemicals…
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