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Hosting a compound centric community resource for chemistry data

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US Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
US Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure

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.

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Hosting a Compound Centric Community Resource for Chemistry Data Antony Williams, ACS Anaheim March 28 th 2011
Data Archiving, e-Science and Primary Data ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
The Social Network ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
Social Networking Tools ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
Collaborative Knowledge Management
TotallySynthetic.com
Contributing Chemistry online ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
Chemistry Social Networking ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
FigShare
FigShare
Chemistry Social Networking ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
ChemSpider ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
Search for a Chemical by name
Available Information… ,[object Object]
Available Information….
Crowdsourced “Annotations” ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
 
Spectra
Spectra
Inherited Errors ,[object Object],[object Object],[object Object],[object Object]
Crowdsourced Curation ,[object Object]
Search “Vitamin H”
“ Curate” Identifiers
“ Curate” Identifiers
“ Curate” Identifiers
Crowdsourcing Works ,[object Object],[object Object],[object Object]
Molbank (Open Access Journal)
ChemSpider SyntheticPages ,[object Object],[object Object],[object Object],[object Object]
 
Vandalism ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
Drivers in the Social Network ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
The Alt-Metrics Manifesto ,[object Object]
Enabled by ORCID…
Who declares data as Open? ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
Licensing “My Work” Online ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
ChemSpider A Structure Centric Host ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
ChemSpider Training Session ,[object Object],[object Object],[object Object],[object Object],[object Object]
Acknowledgments ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
Thank you Email: williamsa@rsc.org Twitter: ChemConnector Personal Blog: www.chemconnector.com SLIDES: www.slideshare.net/AntonyWilliams

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