A Talk delivered at both UNC Chapel Hill and Drexel University There is an increasing availability of free and open access resources for scientists 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. However, freedom costs and in many cases the cost is quality. ChemSpider is a free access website for chemists 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 150 separate data sources, ChemSpider has taken on the task of both robotically and manually curating publicly available data sources. This presentation will provide an overview of the issue of quality in many chemistry-related databases, approaches to cleaning up the data and how a curated platform can become the centralized hub for resourcing information about chemical entities. This includes experimental and predicted properties, analytical data, publications, suppliers and integrated databases. I will detail three efforts :1) the curation of chemistry on Wikipedia 2) an examination of structure integrity on the FDA Daily Med website, a web site of medication content and labeling as found in medication package inserts 3) recognizing chemical names in documents and providing a platform for structure-based searching of Open Access chemistry literature.

1. Crowdsourcing, Collaborations and Text-Mining in a World of Open Chemistry Antony Williams

5. Tell me about Aspirin

6. Tell me about Aspirin

7. Link outs

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

9. Tell me about Aspirin

10. Tell me About Aspirin

11. Tell me about Aspirin

12. Tell me about Aspirin

13. Tell me about Aspirin

15. Open Access Literature Search

16. Search PubMed – ChemSpider

18. Other Searches

19. Complex Search

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

28. Charges

29. Sugars – Machine Readable vs Aesthetics Fischer Stereo Haworth

30. Wikipedia – Crowdsourcing Chemistry

32. Differences between ChemSpider/Wikipedia No, but links. Analytical Data Active editors > 50 (?) Active depositors/curators – 30 No Prediction of properties ???? 6000 people/day; 1900 registered Detailed compound monographs Compound monographs linked Text Complex queries – Properties, Text, structure/substructure, OA publishers, Data Sources, … ~5000 organics, 2000 others >21 million unique structures Wikipedia ChemSpider

33. 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

34. Usage Growth – Representative Plot

36. Multi-level Curation and Approval

41. Name-to-Structure and Lexemes

50. NLM/DTD markup

52. Document markup

53. Markup – 3 seconds!

54. On the fly conversion

55. Shorthand Formulae Supported

56. Curators Tools During Markup

57. One Click to more Info…

58. Coming Soon….

59. Structure Image Conversion

60. Two Seconds Later

61. Not Always Perfect….

65. Ambiguity

66. Ambiguity in Abbreviations - DPA

67. Ambiguity in Abbreviations - THF

69. IUPAC PAC Articles

70. Supports Word .DOC, HTML, RTF

71. Drexel University Documents

72. Drexel University Documents

73. Drexel University Documents

74. Patents

75. Organism Markup

77. Markup Movie

78. DailyMed

79. DailyMed on ChemSpider

80. Quality of Structures!!!

81. Quality of Structures

82. DailyMed