This is a workshop I gave on "Online Public Compound Databases" at the BCCE in Dallas, Texas on August 3rd 2010. It is an overview of online resources, InChI, linking data, online data quality, searching and ChemSpider.

1. Online Public Compound Databases Antony Williams

6. Synthesis Blogs…TotallySynthetic.com

7. Org Prep Daily

8. Molbank (Open Access Journal)

9. Synthetic Pages (Website)

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

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

13. What is a compound?

14. Connections Can Lead Anywhere

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

16. PubChem

19. Chemistry on The Internet Is Messy

20. It’s Methane…

21. What’s Methane?

22. What’s Methane?

23. What ELSE is Methane???

25. The EXPERTS must get it right?!

30. Question Everything online: www.dhmo.org

31. The FDA’s DailyMed

32. Structures on DailyMed

33. Lack of Stereochemistry

34. Does Stereochemistry Matter?

37. Incorrect Structures

38. Wow!

39. Collaborative Knowledge Management

40. Taxol on PubChem

41. Drugbank

42. Digitonin? More Crowdsourcing…

44. CAS as an authority

45. The Blogging Community Participate

47. Chemistry is REALLY Messy

49. An Introduction to the InChI Identifier

50. Multiple Layers

51. InChIStrings Hash to InChIKeys

52. InChIs for Taxol

54. Vancomycin – Search the Internet

55. Full Molecule Search: 4 Hits

56. Full Skeleton Search: 104 Hits

57. Vancomycin on ChemSpider 1 compound – 3 days

64. ChemIDPlus – 350,000 Compounds http://chem.sis.nlm.nih.gov/chemidplus/

65. DrugBank: http://www.drugbank.ca/

68. Search Cholesterol

72. Complex Data and Information

74. Multi-level Curation and Approval

76. ChemSpider Everywhere : Embed

77. ChemSpider Everywhere: Spectral Game

78. ChemSpider Everywhere Crowdsourced Curation of Spectra

79. ChemSpider Everywhere ChemMobi

81. It’s a long road ahead…

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