Navigating an Internet of Chemistry via ChemSpider
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This is a presentation I gave via the BigBlueButton system to students and faculty at the University of Arkansas, Little Rock, regarding searching the internet for Chemistry.
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The document summarizes the vision and challenges of ChemSpider, a free online database for chemists. Key points:
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RSC ChemSpider Science Commons Symposium Pacific Northwest #scspn
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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 timeChemSpider - 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.A Presentation At Nature Publishing Group Crowdsourcing, Collaborations And T...
The document discusses using crowdsourcing and text mining to improve access to chemistry information on the internet. It describes ChemSpider, a search engine for chemical structures, properties, and information. ChemSpider aims to index chemistry articles and literature to make chemical information more accessible and searchable by structure. The challenges of aggregating and curating large amounts of chemical data from various sources are also discussed.
Taming The Wild West Of Internet Based Chemistry You Can Help
Taming The Wild West Of Internet Based Chemistry You Can HelpUS Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
I am an adjunct prof at University of North Carolina Chapel Hill so when I stopped by yesterday for a business meeting I was informed that I had been lined up to give a talk to the students at 1pm. I had 20 minutes to prepare and assembled a mish-mash of information that might be of value to Citizen Chemists, those who might want to contribute to chemistry on the internetConnecting Chemists to the Internet Through ChemSpider
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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 ChemSpiderChemSpider Presentation At University Of Toronto
ChemSpider Presentation At University Of TorontoUS Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
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. 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.Whitney Symposium Lecture June 2008
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Crowd-sourcing is being used to build ChemSpider, a structure-centric community for chemists. ChemSpider allows users to search over 20 million chemical structures and associated data. It enables collaborative curation of data through tools like commenting and editing. ChemSpider aims to enable open discovery through features like virtual screening of compounds using LASSO descriptors.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 ...US Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
This is a presentation I gave at the FDA on December 1st 2009 in Wahington DC as part of a symposium involving PubChem, ChemIDPLus, PillBox, DailyMed and other related systems. The focus was, as usual, on the quality of data online and how to clean up the information and with a specific focus on the quality of data on the FDA's DailyMed and our efforts to apply semantic markup to the DailyMed articlesDigital Chemical Representations
The document discusses several issues related to digital chemical representations and InChI. It provides a brief history of chemical notation systems and discusses some limitations of InChI, including representing tautomers, polymers, and neutral component duplication. The document also notes ongoing work to address stereochemistry issues and support for experimental features like polymer representation. However, many challenges remain for InChI to fully represent the complexity of real-world chemicals.
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.Web Crawling Chemistry
Web Crawling ChemistryUS Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
- ChemSpider is a free online database of over 21.5 million chemical structures that can be searched by chemical structure, substructure, or text. It aims to make chemistry research openly accessible online.
- ChemSpider indexes chemistry articles and allows them to be searched by chemical structure. It hosts open access articles and is developing tools for crowd-sourced annotation and curation of chemistry literature.
- Key challenges include maintaining data quality at large scale, integrating with authoritative databases, and gaining support from all stakeholders in open data sharing versus closed systems.RSC ChemSpider – Building An Internet Based Community For Chemists
RSC ChemSpider – Building An Internet Based Community For ChemistsUS Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
This is a general presentation about our efforts to build an internet based community for chemists using ChemSpider. A general overview of data quality online, crowdsourced deposition and curation and our progress to deliver a solution to the community for resourcing data.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.A Presentation at Nature Publishing Group Crowdsourcing, Collaborations and T...
A Presentation at Nature Publishing Group Crowdsourcing, Collaborations and T...US Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
The document discusses building a structure-centric community for chemists by leveraging crowdsourcing and text-mining of open chemistry data on the internet. It describes ChemSpider's capabilities to search and aggregate chemical data from various sources by structure and property and its efforts to curate and link open access literature and patents to chemical structures. Challenges around data quality and ambiguity in chemical names are also covered. The goal is to enable new ways of searching chemistry information centered around chemical structures.AZ 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.
- Name searching is problematic, structure and substructure searching is preferred.
- Future work includes continued curation, improved search capabilities, and collaborative data cleaning across databases.
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Navigating an Internet of Chemistry via ChemSpider
- 1. Navigating an Internet of Chemistry via ChemSpider Antony Williams University of Arkansas, Little Rock, October 2011 UALR Chemistry Seminar Guest Lecture
- 4. Representative Flavors of Chemistry
- 8. Stereo
- 13. Multiple Layers
- 14. Tautomers – “Mobile H Perception”
- 15. Stereo
- 17. Checking for Stereochemistry Use your drawing package!
- 23. InChIStrings Hash to InChIKeys
- 24. Vancomycin
- 25. Vancomycin Search Molecular SKELETON Search Full Molecule
- 29. I want to know about “Vincristine”
- 30. Vincristine: Identifiers and Properties
- 31. Vincristine: Identifiers and Properties
- 32. Vincristine: Vendors and Sources
- 35. Vancomycin Search Molecular SKELETON Search Full Molecule
- 36. Full Skeleton Search: 104 Hits
- 37. Full Molecule Search: 4 Hits
- 39. What’s said on the web is true…
- 40. What’s said on the web is true…
- 47. Spectra
- 51. Thank you Email: williamsa@rsc.org Twitter: ChemConnector Blog: www.chemspider.com/blog Personal Blog: www.chemconnector.com SLIDES: www.slideshare.net/AntonyWilliams