This was a presentation I gave to an audience at Nature Publishing Group in New York on May 7th 2009. It's a long presentation and over an hour in length. Not much new here relative to other presentations...just a knitting together of many of the others on here. There is an increasing availability of free and open access resources for scientists to use on the internet. Coupled with an increasing number of Open Source software programs we are in the middle of a revolution in data availability and tools to manipulate these data. ChemSpider is a free access website built with the intention of providing a structure centric community for chemists. As an aggregator of chemistry related information from many sources, at present over 21.5 million unique chemical entities from over 190 separate data sources, ChemSpider has taken on the task of both robotically and manually integrating and curating publicly available data sources. ChemSpider has also provided an environment for users to deposit, curate and annotate chemistry-related information. This has allowed the community to enhance ChemSpider by adding analytical data, associating synthetic pathways and publications and connecting to social networking resources. I will discuss how ChemSpider is fast becoming the premier curated platform and centralized hub for resourcing information about chemical entities and how the platform provides the foundation data for services allowing the analysis of analytical data and collaborative science.

1. Crowdsourcing, Collaborations and Text-Mining in a World of Open Chemistry Antony Williams Nature Publishing Group Presentation, New York, May 2009

6. And its dialects….

9. Linked Data Cloud

11. “ Good Stuff” TotallySynthetic.com

12. PubChem

13. What is “wrong”?

15. Search Cholesterol

16. Search Cholesterol

17. Search Cholesterol

18. Search Cholesterol

19. Search Cholesterol

20. Search Cholesterol

21. Link outs

22. Links out to KEGG Kyoto Encyclopedia of Genes and Genomes

23. Complex Data and Information

25. Other Searches

26. Complex Search

28. Quality is a Major Issue- Search Butanol OLD EXAMPLE..now fixed

31. Does one stereocenter matter? Thalidomide

33. Vancomycin ChemSpider: 1 compound – 3 days

34. Question Everything www.dhmo.org

36. The FDA’s DailyMed

37. Structures on DailyMed Poor Representations

38. Structures on DailyMed Lack of Stereochemisty

39. Incorrect Structures Scanning (?) Issues

40. Incorrect Structures

43. Collaborative Knowledge Management for Chemists

46. Wikipedia Links to Drugbank

47. Taxol on PubChem

48. Taxol on Daily Med

49. Differences between ChemSpider/Wikipedia No, but links. Analytical Data Active editors > 50 (?) Active depositors/curators – 30 No Prediction of properties ???? 6000 people/day; 3800 registered Detailed compound monographs Compound monographs linked Text Complex queries – Properties, Text, structure/substructure, OA publishers, Data Sources, … ~6000 organics, 2000 others >21 million unique structures Wikipedia ChemSpider

50. Differences between Wikipedia/ChemSpider Growing reputation as focused on quality Worldwide reputation as quality source – good and bad Chemistry is the focus of ‘Spider Chemistry is a subset of the ‘Pedia Mixed “licensing” GFL licensing for everything Growing team of advocates, curators and users Strong team of WP:Chem advocates, curators and admins “ Out of a basement” on three servers and 5 volunteers Established infrastructure and Wikipedia Foundation Team Primarily Microsoft .NET technologies with OS components Supported by tried and tested Media-Wiki platform. ChemSpider Wikipedia

51. The InChI Identifier

53. InChIs Structure but NOT substructure

54. InChIStrings Hash to InChIKeys

55. InChIs for Taxol

58. The InChI Resolver

60. Coming Soon…Linked Articles

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

63. Multi-level Curation and Approval

72. Document markup

73. Markup – 3 seconds!

74. On the fly conversion

75. Shorthand Formulae Supported

76. One Click to more Info…

80. Ambiguity

81. Ambiguity in Abbreviations - DPA

82. Ambiguity in Abbreviations - THF

84. IUPAC PAC Articles

85. Supports Word .DOC, HTML, RTF

86. Nature Publications

88. Integrations Out to Other Sources

89. Integrations Out to Other Sources

90. Reactions

91. Manual Curation is Always Necessary

93. Open Access Literature Search

95. Build Dictionaries Ontologies Next

98. ChemSpider Everywhere Embed Functionality (like YouTube)

99. ChemSpider Everywhere www.spectralgame.com

100. ChemSpider Everywhere Crowdsourced Curation of Spectra

101. ChemSpider Everywhere RSC Compounds

103. ChemSpider Everywhere ChemMobi

104. Structure RSS Feeds with InChIs