1. ChemSpider – A Combination Platform of Free Chemistry Database, Free Prediction Engines and Crowdsourcing Environment Antony Williams University of Oregon, April 24 th 2013

2. ChemSpider….  How many of you use ChemSpider already?  ChemSpider… Over 28 million compounds Linked to 400 data sources Linked to patents, publications, data, spectra… You’ll hear more….

3. An Overview How many of you are frequent users? How many of you are total novices? How many of you are librarians? Chemists? Cheminformaticians? What works well for you? What doesn’t work well for you? Your meeting. It will meander off target according to your needs

4. A Question : What’s your interest in Public Compound DBs ? What public compound databases do you use? What are you looking to find? What proprietary databases do you presently use? What do you trust? Why are for-fee databases not enough? What issues do you have with free chemistry databases/resources online? What would the ideal solution provide????

5. I want to know about “Vincristine”

6. Vincristine: Identifiers and Properties

7. Vincristine: Vendors and Sources

8. Vincristine: Patents

9. Vincristine: Articles

10. CURATION Search “Vitamin H”

11. “Curate” Identifiers

14. The InChI Identifier

15. Multiple Layers

16. InChIStrings Hash to InChIKeys

17. Vancomycin – Search the Internet

18. Vancomycin Search Molecular SKELETON Search Full Molecule

19. ChemSpider Interface

21. ChemSpider SyntheticPages An online resource for synthetic procedures from users. A community sourced database Public peer-review and feedback for synthetic procedures New articles every week being deposited

22. ChemSpider SyntheticPages

23. ChemSpider Everywhere : Embed

24. ChemSpider Everywhere: Wikibox

25. ChemSpider Everywhere: Spectral Game

26. ChemSpider Mobile

27. Where to for ChemSpider? More databases coming online monthly – we add data daily! Looking for new collections ChemSpider is limited to “defined chemicals”. No support for: Polymers, Minerals, Markush structures

28. Thank you Email: williamsa@rsc.org Twitter: @ChemConnector Personal Blog: www.chemconnector.comwww.chemconnector.com SLIDES: www.slideshare.net/AntonyWilliamswww.slideshare.net/AntonyWilliams