Jean-Claude Bradley presents at the Association of College and Research Libraries on March 31, 2011 on "Is there a role for Trust in Science".

1. Is there a role for trust in science? Association of College and Research Libraries Jean-Claude Bradley Department of Chemistry Drexel University March 31, 2011

2. The Chemical Information Validation Sheet 567 curated and referenced measurements from Fall 2010 Chemical Information Retrieval course

3. The Chemical Information Validation Explorer (Andrew Lang)

4. Discovering outliers for melting points (stdev/average)

5. Investigating the m.p. inconsistencies of EGCG

6. Investigating the m.p. inconsistencies of cyclohexanone

7. Sigma-Aldrich, Acros and Wolfram Alpha apparently use the same sources for melting points

8. Sigma-Aldrich, Acros and Wolfram Alpha apparently use the same sources for boiling points

9. Sigma-Aldrich, Acros and Wolfram Alpha apparently DO NOT use the same sources for flash points

10. Most popular data sources

11. Alfa Aesar donates melting points to the public

12. Open Melting Point Explorer

13. Outliers MDPI dataset EPI (via ChemSpider)

14. Outliers Alfa Aesar

15. Inconsistencies and SMILES problems within MDPI dataset

16. MDPI Dataset labeled with High Trust Level

17. Open Melting Point Datasets

18. Open Random Forest modeling of Open Melting Point data using CDK descriptors (Andrew Lang) R2 = 0.78, TPSA and nHdon most important

19. Melting point prediction service

20. Using melting point for temperature dependent solubility prediction

21. Motivation: Faster Science,Better Science

22. There are NO FACTS, only measurements embedded within assumptions Open Notebook Science maintains the integrity of data provenance by making assumptions explicit

23. TRUST PROOF

24. Strategy for an Open Notebook: First record then abstract structure In order to be discoverable use Google friendly formats (simple HTML, no login) In order to be replicable use free hosted tools (Wikispaces, Google Spreadsheets)

25. Crowdsourcing Solubility Data

26. Data provenance: From Wikipedia to…

27. …the lab notebook and raw data

28. The importance of raw data availability Missed in a prior publication on solubility for this compound

29. Solubilities collected in a Google Spreadsheet

30. Rajarshi Guha’s Live Web Query using Google Viz API

31. Web services for summary data (Andrew Lang)

32. Web service calls from within a Google Spreadsheet for solubility measurement and prediction (Andrew Lang)

33. Integration of Multiple Web Services to Recommend Solvents for Reactions (Andrew Lang)

37. Reaction Attempts Book

38. Reaction Attempts Book: Reactants listed Alphabetically

39. ONS Challenge Solubility Book cited for nanotechnology application

40. Lulu.com Data Disks

41. All ONS web services

42. Dynamic links to private tagged Mendeley collections (Andrew Lang)

43. For all Formats of ONS Projects

45. The peer-reviewed system is critical but insufficient to communicate all available actionable scientific information