Open Notebook Science in Drug Discovery

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Jean-Claude Bradley presents on "Open Notebook Science in Drug Discovery" at the Easing the Bottleneck in Drug Discovery Conference - Industry and Academia panel, on August 24, 2010 in Philadelphia.

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Open Notebook Science in Drug Discovery

  1. 1. Open Notebook Science in Drug Discovery Jean-Claude Bradley August 24, 2010 Drug Discovery: Easing the Bottleneck Associate Professor of Chemistry Drexel University Industry and Academia Panel
  2. 2. Can Open Science and Drug Discovery Mix?
  3. 3. Industry is Sharing More
  4. 4. Some Initiatives Promoting More Openness in Drug Discovery
  5. 5. Motivation: Faster Science, Better Science
  6. 6. TRUST PROOF
  7. 7. Open Primary Research in Drug Design using Web2.0 tools (blogs, wikis, Second Life, mailing lists) Docking Synthesis Testing Rajarshi Guha Indiana U JC Bradley Drexel U Phil Rosenthal UCSF (malaria) Dan Zaharevitz NCI (tumors) Tsu-Soo Tan Nanyang Inst.
  8. 8. Outcome of Guha-Bradley-Rosenthal collaboration
  9. 9. Opportunities for Competitive Collaboration
  10. 10. Crowdsourcing Solubility Data
  11. 11. ONS Challenge Judges
  12. 12. ONS Submeta Award Winners
  13. 13. Data provenance: From Wikipedia to…
  14. 14. … the lab notebook and raw data
  15. 15. General Transparent Solubility Prediction (Andrew Lang)
  16. 16. Integration of Multiple Web Services to Recommend Solvents for Reactions (Andrew Lang)
  17. 17. Integration into MyExperiment Workflows to Process Virtual Libraries of Compounds Peter Li (ChemTaverna)
  18. 18. The Intersection of Open Notebooks (Bradley/Todd) and IP implications Open Notebook could have blocked patent if done earlier
  19. 19. Conclusions <ul><li>Open Science can play a role in Drug Discovery </li></ul><ul><li>Open Notebook Science can be a useful tool in this context </li></ul>

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