Crowd-Sourcing Chemistry Data to Improve Quality Online

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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 articles

Tecnología Educación

ChemSpider: How the Wisdom of the Crowd Can Improve the Quality of Chemistry on the Internet

Overview ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]

Linked Data on the Web Taken from: Rafael Sidis’ Blog

Where Would You look? What Do You Trust?

Lots of “Public Compound” Databases ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]

Connecting Chemistry on the Web ,[object Object],[object Object],[object Object]

Antony Williams vs Identifiers Passport ID Dad, Tony, others SSN Green Card License 5 email addresses ChemSpiderman (blog, Twitter account, Facebook, Friendfeed) OpenID … .

Aspirin names and synonyms ,[object Object],[object Object],[object Object]

Vancomycin ,[object Object],[object Object]

What is ChemSpider? ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]

Link off a structure in ChemSpider ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]

Answering Questions for Chemists ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]

Chemistry on the Internet ,[object Object],[object Object]

Question Everything online: www.dhmo.org

Vancomycin Search Molecular SKELETON Search Full Molecule

Wikipedia, C&E News, PubChem ,[object Object]

Feedback from Steve Ritter ,[object Object],[object Object]

Assertion and Chemical Entities ,[object Object],[object Object],[object Object]

Crowd-sourcing Chemistry Curation ,[object Object]

Multi-level Curation and Approval Building a Structure Centric Community for Chemists

The Intention ,[object Object],[object Object],[object Object],[object Object]

Does it Matter? ,[object Object],[object Object],[object Object],[object Object]

The Process ,[object Object],[object Object],[object Object],[object Object],[object Object]

One Name – Multiple Structures NO Stereo Full Stereo Partial Stereo Partial Stereo

How bad can it get??? And who is right????

Name-Structure Pairs ,[object Object],[object Object],[object Object],[object Object]

ChemMantis ,[object Object],[object Object],[object Object]

Semantic Linking of Structures ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]

Dictionaries are Easily Enhanced ,[object Object],[object Object],[object Object],[object Object]

Where To From Here? ,[object Object],[object Object],[object Object]

If We Had Our Way… ,[object Object],[object Object],[object Object],[object Object]

ChemSpider Everywhere Crowdsourced Curation of Spectra

ChemSpider Everywhere ChemMobi Building a Structure Centric Community for Chemists

Linking to Resources ,[object Object],[object Object]

Conclusions ,[object Object],[object Object],[object Object],[object Object],[object Object]

Thank you [email_address] Twitter: ChemSpiderman www.chemspider.com/blog SLIDES: www.slideshare.net/AntonyWilliams

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Crowd-Sourcing Chemistry Data to Improve Quality Online

1. ChemSpider: How the Wisdom of the Crowd Can Improve the Quality of Chemistry on the Internet

3. Linked Data on the Web Taken from: Rafael Sidis’ Blog

4. Where Would You look? What Do You Trust?

6. What is a compound?

8. Antony Williams vs Identifiers Passport ID Dad, Tony, others SSN Green Card License 5 email addresses ChemSpiderman (blog, Twitter account, Facebook, Friendfeed) OpenID … .

9. Aspirin vs Chemical Identifiers

10.

11.

12.

13.

14. The Final Search Strategy

15. All Those Names, One Structure

16. Connections Can Lead Anywhere

17. The InChI Identifier

18. Multiple Layers

19. InChIStrings Hash to InChIKeys

20. Oleoylethanolamine