ChemSpider as a Platform for Crowd Participation in Curating Chemistry

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This is a presentation I gave at the International Digital Curation Conference in Chicago, December 7th 2010, #idcc10. The presentation discusses the issues of data quality and the need for collective, crowdsourced efforts to improve the quality of chemistry related data on the Internet

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ChemSpider as a Platform for Crowd Participation in Curating Chemistry Antony Williams IDCC, Chicago, December 2010

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ChemSpider Everywhere Crowdsourced Curation of Spectra

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 

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

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ChemSpider as a Platform for Crowd Participation in Curating Chemistry

1. ChemSpider as a Platform for Crowd Participation in Curating Chemistry Antony Williams IDCC, Chicago, December 2010

2. WARNING: Chemistry is Dangerous

3. Di-Hydrogen Monoxide

8. It’s all on Wikipedia…

10. Dialects describing chemicals

11.

12. www.chemspider.com

13.

14. Search for a Chemical…by name

15.

16. Available Information….

17.

18.

19. Linked Data on the Web

20.

21. What is the Structure of Vitamin K?

22.

23. What is the Structure of Vitamin K1?

24. What is the Structure of Vitamin K1?

25. Chemical Abstracts “Common Chemistry” Database

26. Wikipedia

27.

28. Incorrect Structures

29. Lack of Stereochemistry

30.

31.

32. PubChem

33.

34.

35. What’s Methane?

36. What’s Methane?

37. What ELSE is Methane???

38.

39. Search “Vitamin H”

40. Search “Vitamin H”

41. “ Curate” Identifiers

42. “ Curate” Identifiers

43. “ Curate” Identifiers

44.

45.

46.

47.

48. Vancomycin – Curate This!!!

49. Vancomycin on ChemSpider 1 compound – 3 days

50.

51. Multimedia Content Holder

52. Gaming for Curation of Spectra

53. ChemSpider Everywhere Crowdsourced Curation of Spectra

54. Data Curation

55. True Curation of Data

56. ChemSpider SyntheticPages

57. 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 

58.

59. Mobile ChemSpider

60.

61. Second request to Database Hosts! Show Comments

62. Question Quality

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

ChemSpider as a Platform for Crowd Participation in Curating Chemistry

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