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Open Notebook Science in 15 minutes
Open Notebook Science in 15 minutes
Open Notebook Science in 15 minutes
Open Notebook Science in 15 minutes
Open Notebook Science in 15 minutes
Open Notebook Science in 15 minutes
Open Notebook Science in 15 minutes
Open Notebook Science in 15 minutes
Open Notebook Science in 15 minutes
Open Notebook Science in 15 minutes
Open Notebook Science in 15 minutes
Open Notebook Science in 15 minutes
Open Notebook Science in 15 minutes
Open Notebook Science in 15 minutes
Open Notebook Science in 15 minutes
Open Notebook Science in 15 minutes
Open Notebook Science in 15 minutes
Open Notebook Science in 15 minutes
Open Notebook Science in 15 minutes
Open Notebook Science in 15 minutes
Open Notebook Science in 15 minutes
Open Notebook Science in 15 minutes
Open Notebook Science in 15 minutes
Open Notebook Science in 15 minutes
Open Notebook Science in 15 minutes
Open Notebook Science in 15 minutes
Open Notebook Science in 15 minutes
Open Notebook Science in 15 minutes
Open Notebook Science in 15 minutes
Open Notebook Science in 15 minutes
Open Notebook Science in 15 minutes
Open Notebook Science in 15 minutes
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Open Notebook Science in 15 minutes

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Presented at Drexel University on Oct 10, 2008 in the chemistry department faculty mini-symposium. A quick summary of Open Notebook Science and its application to drug discovery.

Presented at Drexel University on Oct 10, 2008 in the chemistry department faculty mini-symposium. A quick summary of Open Notebook Science and its application to drug discovery.

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  • 1. The Synthesis of anti-malarial compounds using Open Notebook Science Jean-Claude Bradley Oct 10, 2008 Drexel MiniSymposium Associate Professor of Chemistry Drexel University
  • 2. Motivation: Faster Science, Better Science
  • 3. Malaria Target: falcipain-2 involved in hemoglobin metabolism Dana.org
  • 4. UsefulChem Project: Open Primary Research in Drug Design using Web2.0 tools Docking Synthesis Testing Rajarshi Guha Indiana U JC Bradley Drexel U Phil Rosenthal UCSF (malaria) Dan Zaharevitz NCI (tumors) Tsu-Soo Tan Nanyang Inst.
  • 5. BLOG WIKI Mailing List GoogleDocs Architecture: Distributed, Interlinked and Redundant ChemSpider CDD FriendFeed Nature Precedings JoVE
  • 6. Where’s the Beef?
  • 7. Link to Lab Notebook Page in Wiki
  • 8. Link to Molecules
  • 9. Link to Docking Procedure (Rajarshi Guha)
  • 10. Link to Docking Results: Lists of SMILES in GoogleDocs (Rajarshi Guha)
  • 11. Link to Raw Data with JSpecView (data in JCAMP-DX format) (by Robert Lancashire)
  • 12. Conclusion is Fully Supported
  • 13. How did this experiment evolve? Third party timestamp
  • 14. Comparing wiki page versions
  • 15. Comparing Experiments Ugi Master Table
  • 16.
    • Concentration (0.4, 0.2, 0.07 M)
    • Solvent (methanol, ethanol, acetonitrile, THF)
    • Excess of some reagents (1.2 eq.)
    Reaction to Optimize
  • 17. Mettler-Toledo MiniBlock System
  • 18. Mettler-Toledo MiniMapper
  • 19. XML reports from MiniMapper robot
  • 20. GoogleDoc to program and report
  • 21. Paper written on Wiki
  • 22. References to papers, blog posts, lab notebook pages, raw data
  • 23. Paper on Journal of Visualized Experiments (JoVE)
  • 24. Pre-print on Nature Precedings
  • 25. Best Yield: 66% 0.4 M methanol 1.2 eq imine
  • 26. Methanol 0.4M xs of imine best
  • 27. Outcome of Guha-Bradley-Rosenthal collboration
  • 28. Measuring Solubilities in Southampton with Cameron Neylon Sept 3, 2008 usefulchem.wikispaces.com/exp207
  • 29. Investigating solubilities in organic solvents Boc-glycine vanillin glucose NaCl
  • 30. The Results in a GoogleDoc reliable unreliable
  • 31.  
  • 32. Acknowledgements
    • Khalid Mirza (Drexel)
    • Kevin Owens (Drexel)
    • Tim Bohinsky (Drexel)
    • James Giammarco (Drexel)
    • Tom Osborne (Mettler-Toledo)
    • Antony Williams (ChemSpider)
    • Andrew Lang (Oral Roberts U.)
    • Cameron Neylon (Southampton U.)

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