There is an increasing availability of free and open access resources for chemists to use on the internet. Coupled with the increasing availability of Open Source software tools we are in the middle of a revolution in data availability and tools to manipulate these data. ChemSpider is a free access website for chemists built with the intention of providing a structure centric community for chemists. It was developed with the intention of aggregating and indexing available sources of chemical structures and their associated information into a single searchable repository and making it available to everybody, at no charge. There are tens if not hundreds of chemical structure databases such as literature data, chemical vendor catalogs, molecular properties, environmental data, toxicity data, analytical data etc. and no single way to search across them. Despite the fact that there were a large number of databases containing chemical compounds and data available online their inherent quality, accuracy and completeness was lacking in many regards. The intention with ChemSpider was to provide a platform whereby the chemistry community could contribute to cleaning up the data, improving the quality of data online and expanding the information available to include data such as reaction syntheses, analytical data, experimental properties and linking to other valuable resources. It has grown into a resource containing over 21 million unique chemical structures from over 200 data sources. ChemSpider has enabled real time curation of the data, association of analytical data with chemical structures, real-time deposition of single or batch chemical structures (including with activity data) and transaction-based predictions of physicochemical data. The social community aspects of the system demonstrate the potential of this approach. Curation of the data continues daily and thousands of edits and depositions by members of the community have dramatically improved the quality of the data relative to other public resources for chemistry. This presentation will provide an overview of the history of ChemSpider, the present capabilities of the platform and how it can become one of the primary foundations of the semantic web for chemistry. It will also discuss some of the present projects underway since the acquisition of ChemSpider by the Royal Society of Chemistry.

1. Building a Foundation for the Semantic Web by Hosting a Crowdsourced Databasing Platform for Chemistry

3. For Synthesis…TotallySynthetic.com

4. Org Prep Daily (Blog)

5. Molbank (Open Access Journal)

6. Synthetic Pages (Website)

7. Encyclopedic Articles (Wikipedia)

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

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

11. Compounds and Identifiers

13. Connections Can Lead Anywhere

16. Search Cholesterol

17. Search Cholesterol

18. Search Cholesterol

19. Search Cholesterol

20. Search Cholesterol

21. Search Cholesterol

22. Linked across the internet

23. Kyoto Encyclopedia of Genes and Genomes

25. Links to Patents based on structure

26. Clickthrough to Patent (SureChem)

27. Pubmed Articles Linked

29. Complex Data and Information

30. ChemSpider Searches

31. ChemSpider Searches

32. ChemSpider Complex Searches

33. Question Everything online: www.dhmo.org

34. Searching Dihydrogen Monoxide…

36. Caution! Question Everything!

37. PubChem

39. Vancomycin on ChemSpider 1 compound – discussions over 3 days

40. The EXPERTS must get it right?!

44. What About Digitonin?

46. CAS as an authority

47. The Blogging Community Participate

49. The FDA’s DailyMed

50. Structures on DailyMed

51. Lack of Stereochemisty

52. Incorrect Structures

53. Wow!

54. Collaborative Knowledge Management

55. Drugbank

56. Taxol on PubChem

57. The InChI Identifier

58. Multiple Layers

59. InChIStrings Hash to InChIKeys

60. InChIs for Taxol

63. Does one stereocenter matter?

66. Building a Structure Centric Community for Chemists

68. ChemSpider Searches

69. ChemSpider Searches

70. InChIKey Searches Work

71. The InChI “Resolver”

73. Crowdsourcing

76. “ Lathosterol”

77. “ Lathosterol”

78. “ Lathosterol”

79. “ Lathosterol” Removed

81. “ Lathosterol” on PubChem

82. “ Lathosterol” on PubChem

83. “ Lathosterol” on PubChem

84. Validate Names for PubMed “Caldarchaeol”

86. Reflect

87. Entity-Extraction, Mark-up, Annotate

88. Success Depends on Dictionaries

91. Nature Chemistry Compound Pages

93. ChemMantis and CJOC

94. Name-Structure Pairs

96. Deposit Structures

98. Species – linked to Wikipedia

100. RSC’s Project Prospect

102. RSC Supplementary Info

103. RSC Supplementary Info

104. Online Journals and Live Data

105. ChemSpider Everywhere : Embed

106. ChemSpider Everywhere: Spectral Game

107. ChemSpider Everywhere Crowdsourced Curation of Spectra Building a Structure Centric Community for Chemists

108. ChemSpider Everywhere ChemMobi Building a Structure Centric Community for Chemists

111. It’s a long road ahead…

112. More representative…

117. Not in a basement now...

118. And the Downside

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