Jean-Claude Bradley presents at the American Chemical Society on August 16, 2009. The talk starts with highlighting how Open Notebook Science has been used to shed light on the recent report of using sodium hydride (NaH) as an oxidant. Next the Open Notebook Science Challenge is described, where ONS coupled to crowdsourcing is used to measure and share non-aqueous solubility data. Recent developments in using bots to contribute to the scientific process and applications to the Ugi reaction are mentioned.

1. Crowdsourcing non-aqueous solubility and synthesis using Open Notebook Science Jean-Claude Bradley August 16, 2009 American Chemical Society meeting Associate Professor of Chemistry Drexel University

2. The NaH oxidation controversy

3. Information spreads quickly through the blogosphere

4. 15% NMR yield

6. Khalid Mirza and Marshall Moritz

8. Top results on a Google search

9. Motivation: Faster Science, Better Science

10. Open Notebook Science Logos (Andy Lang, Shirley Wu) Sharing: how much and when

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

12. TRUST PROOF

13. The solubility of 4-chlorobenzaldehyde

14. The Log makes Assumptions Explicit

15. The Rationale of Findings Explicit

16. Raw Data Made Public Splatter? Some liquid

17. YouTube for demonstrating experimental set-up

18. Calculations Made Public on Google Spreadsheets

19. Revision History on Google Spreadsheets

20. Wiki Page History

21. Comparing Wiki Page Versions

22. Proof of Purity with interactive NMR spectrum using JSpecView and JCAMP-DX

23. Linking to Molecules in Chemistry Databases

24. Experimental Spectra and User-Deposited Data on ChemSpider

25. (Andy Lang, Tony Williams) Open Data JCAMP spectra for education (Andy Lang, Tony Williams, Robert Lancashire)

26. Crowdsourcing Solubility Data

27. ONS Submeta Award Winners

28. ONS Challenge Judges

29. Teaching Lab: Brent Friesen (Dominican University)

30. Solubility Experiment List

31. Solubilities collected in a Google Spreadsheet

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

33. Rajarshi Guha and Andy Lang: Chemical Space Explorer

34. Semi-Automated Measurement of solubility via web service analysis of JCAMP-DX files (Andy Lang)

36. Solvent mixture and temperature: multidimensional solubility data Actual Data (4-nitrobenzaldehyde) From quadratic regression of 5D space Feeds DoSol Sheet the next points to measure to best cover the space

37. Crowdsourcing Reaction Requests: DoUgi sheet

38. Understanding in addition to empirical modeling Missed in a prior publication on solubility for this compound

39. Data provenance: From Wikipedia to…

40. … the lab notebook and raw data

41. Including links to the literature

42. Pierre Lindenbaum’s Solubility Data as RDF Triples

44. Mettler-Toledo MiniMapper

45. Mettler-Toledo MiniBlock System

46. XML reports from MiniMapper robot

47. GoogleDoc to program and report

48. Paper written on Wiki

49. References to papers, blog posts, lab notebook pages, raw data

50. Paper on Journal of Visualized Experiments (JoVE)

51. Pre-print on Nature Precedings

52. ChemSpider Automated Mark-up of Chemical Names

53. Cameron Neylon’s Notebooks Other Open Notebooks

54. Anthony Salvagno’s Notebook (Steve Koch group)