Jean-Claude Bradley presents the first class of CHEM367/767 2010 Chemical Information Retrieval at Drexel University on September 23, 2010. The challenge of finding chemical information is highlighted. Tools and techniques, which will be covered over the course, pertaining Science1.0, Science2.0 and Science3.0 are introduced.

1. Chemical Information Retrieval 2010 Jean-Claude Bradley September 23, 2010 First Class Associate Professor of Chemistry Drexel University CHEM367/767 Drexel University

2. Finding reliable chemical information can be really hard

3. After this class, you should feel that you can never blindly trust chemical data sources again

4. But… You will learn how to do the best you can with imperfect information

5. How bad is our current system? Try to find the solubility EGCG?

6. =2.3 g/L WTF?!

7. The NaH oxidation controversy

8. 15% NMR yield

9. Khalid Mirza and Marshall Moritz

11. Top results on a Google search

12. How reliable is Peer Review?

13. The Scandal of Bell’s Lab Notebook

14. Industry is Sharing More

15. Opportunities for Competitive Collaboration

16. Some Initiatives Promoting More Openness in Drug Discovery

17. Motivation: Faster Science, Better Science

18. TRUST PROOF

19. Crowdsourcing Solubility Data

20. ONS Challenge Judges

21. ONS Submeta Award Winners

22. Data provenance: From Wikipedia to…

23. … the lab notebook and raw data

24. The Intersection of Open Notebooks (Bradley/Todd) and IP implications Open Notebook could have blocked patent if done earlier

28. Other Web Services… (Andrew Lang) General Transparent Solubility Prediction

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

30. Integration into MyExperiment Workflows to Process Virtual Libraries of Compounds Peter Li (ChemTaverna)

31. Web services from data collected in this class will be added here

32. Now lets take a look at the class wiki