The original abstract is below. Ultimately this work was not funded by Microsoft and we did not deliver it on Sharepoint Server. Nevertheless, we DO depend heavily on Microsoft Technology to do what we do... .NET and SQL server specifically. DailyMed is a website hosted by the FDA providing access to information about marketed drugs. This information includes FDA approved labels (package inserts) and provides a standard, comprehensive, up-to-date, look-up and download resource of medication content and labeling as found in medication package inserts. With an intention of enhancing the dataset by making it searchable by chemical structure/substructure we determined that the data contained numerous chemistry errors. We have therefore used a combination of text-mining, automated and manual curation to improve the quality of the data set. In so doing we have also made querying of the data more flexible. Specifically we have used the Microsoft Sharepoint technology to create a portal allowing both text-based and structure-based querying. We will report on the advantages such an approach delivers in terms of flexible interrogation of DailyMed.

1. Cleaning up chemistry for the pharma industry Delivering a flexible platform for interrogating the FDA DailyMed website Antony Williams

3. Reality

6. Complex Data and Information

8. Data Curation

9. Caution! Question Everything!

10. Question Everything www.dhmo.org

12. Vancomycin ChemSpider: 1 compound – 3 days

14. The FDA’s DailyMed

16. Structures on DailyMed Poor Representations

17. Structures on DailyMed Lack of Stereochemisty

18. Incorrect Structures Simply Wrong

19. Incorrect Structures Scanning (?) Issues

20. Incorrect Structures “HOO-BOY!!!!!”

23. State of the Data

24. Tolinase: DailyMed on ChemSpider

25. OTHER Mentioned Chemicals

26. One Name – Multiple Structures NO Stereo Full Stereo Partial Stereo Partial Stereo

29. Partial Stereochemistry

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

34. Back to DailyMed

35. Quality of Structures!!!

36. ChemMantis Markup

37. Species Markup

40. Outlinks…