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Bradley poster at Collaborative Drug Discovery meeting Oct 7, 2008

Bradley poster at Collaborative Drug Discovery meeting Oct 7, 2008

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CDD poster Presentation Transcript

  • 1. Jean-Claude (Drexel U.) Philip Rosenthal (UCSF) Antony Williams (ChemSpider) UsefulChem: Open Notebook Science and Collaborative Drug Discovery Khalid Mirza (Drexel U.) Jiri Gut (UCSF) Rajarshi Guha (Indiana U.)
  • 2. BLOG WIKI Mailing List GoogleDocs Architecture: Distributed, Interlinked and Redundant ChemSpider CDD FriendFeed Nature Precedings JoVE
  • 3.
    • Topic: Malaria
    • Connections
    Phil Rosenthal, UCSF Malaria biology, screening Bradley Laboratory, Drexel Synthetic Chemistry Malaria data, global Rajarshi Guha, Indiana University Docking to pre-filter Ugi Library Bradley-Guha-Rosenthal-CDD Malaria Computational-Experimental Collaboration Goal: Accelerate drug discovery for malaria Bunin, Ekins etc Community Facilitators
  • 4. Where’s the Beef?
  • 5. Link to Lab Notebook Page in Wiki
  • 6. Link to Docking Results: Lists of SMILES in GoogleDocs (Rajarshi Guha)
  • 7. Using ChemSpider to archive compound characterization
  • 8. Drexel-UCSF Malaria Data Set within the Context of Other CDD Community Neglected Disease Data Sets
  • 9. Ugi-4CC Product tested in P. Falciparum Cell Assay in Collaborative Drug Discovery (CDD) Database
  • 10. Useful Chemistry Ugi Compound in CDD (public login: usefulchemistry, Password: cddcdd)
  • 11. Open Access Data Easily Exported from CDD Database
  • 12. Outcome of Guha-Bradley-Rosenthal collboration