1. ChemSpider – The Vision and Challenges Associated with Building a Free Online Community Resource for Chemists Antony Williams AZ, February 2011

3. For Synthesis…TotallySynthetic.com

4. Org Prep Daily (Blog)

5. Molbank (Open Access Journal)

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

8. Linked Data on the Web

9. What is a compound? “ARTAs”

14. www.chemspider.com

16. Search for a Chemical…by name

19. Available Information….

20. Clickthrough to Patent (SureChem)

23. Spectra Linked

24. Spectra Linked

25. Search for a chemical…by structure Substructure search coming…

27. What is the Structure of Vitamin K?

29. What is the Structure of Vitamin K1?

30. What is the Structure of Vitamin K1?

31. Vitamin K1

34. Question Everything online: www.dhmo.org

35. It’s all on Wikipedia…

36. Chemistry on The Internet Is Messy

37. It’s Methane…

38. What’s Methane?

39. What’s Methane?

40. What ELSE is Methane???

43. EPA’s DailyMed

44. EPA’s DailyMed

45. EPA’s DailyMed

47. Drug Name Generic Name ChEBI ChemSpider CAS Com. Chem ChemIDPlus DailyMed DrugBank PubChem Wikipedia Spiriva Tiotropium Bromide No Hits  No Hits    4/0  Depakote Valproate semisodium        No Structure Basen Voglibose   No Hits  No Hits  2/1  Symbicort 1) Budesonide       8/1  Symbicort 2) Formoterol WRONG  No Hits    6/1  Vytorin 1) Ezetimibe   No Hits      Vytorin 2) Simvastatin       2/1  Taxol Paclitaxel       44/1  Thalidomid Thalidomide No Hits        Zocor Simvastatin       2/1  Crestor Rosuvastatin   No Hits    2/1 

48. Symbicort: Budesonide + Formoterol

49. Symbicort: Budesonide + Formoterol ChemIDPlus Wikipedia

50. DrugBank: Search Symbicort…

52. Taxol: Paclitaxel 44 structures

53. Taxol: Paclitaxel Bioassay Data

60. The Final Search Strategy

61. All Those Names, One Structure

63. The InChI Identifier

64. Multiple Layers

65. InChIStrings Hash to InChIKeys

66. Oleoylethanolamine

67. InChIs have traction…

68. Vancomycin

69. Vancomycin

70. Vancomycin Search Molecular SKELETON Search Full Molecule

71. Full Molecule Search: 4 Hits

72. Full Skeleton Search: 104 Hits

74. Vancomycin on ChemSpider

81. Name Searching is “Easier”

82. Name Searching is “Easier”

86. The EXPERTS must get it right?!

90. Search OEA

91. Search OEA

92. Search OEA

94. Nature Chemistry Compound Pages

95. Project Prospect

96. Entity-Extraction, Mark-up, Annotate

97. Entity-Extraction, Mark-up, Annotate

98. And linked to STITCH…

99. Success Depends on Dictionaries

101. Search “Vitamin H”

102. “ Curate” Identifiers

103. “ Curate” Identifiers

104. “ Curate” Identifiers

105. Crowd-sourcing Chemistry Curation

108. Crowdsourcing Synthesis ChemSpider SyntheticPages

109. Crowdsourcing Synthesis ChemSpider SyntheticPages

111. Web Services

113. ChemSpider Everywhere : Embed

114. ChemSpider Everywhere: Spectral Game

115. ChemSpider Everywhere Crowdsourced Curation of Spectra

116. ChemSpider Everywhere : ChemMobi

117. Structure Database Lookup

118. Structure Database Lookup

119. Reaction Database Look-up

120. Reaction Database Look-up

125. It’s a long road ahead…

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