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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.)
BLOGWIKI
Mailing List
GoogleDocs
Architecture: Distributed, Interlinked and
Redundant
ChemSpider
CDD
FriendFeedNature Preceding
s JoVE
• Topic: Malaria
• Connections
Phil Rosenthal, UCSFMalaria biology, screening
Bradley Laboratory, DrexelSynthetic Chemistry
Malaria data, global
Rajarshi Guha, Indiana UniversityDocking to pre-filter Ugi Library
Bradley-Guha-Rosenthal-CDD Malaria Computational-Experimental Collaboration
Goal: Accelerate drug discovery for malaria
Bunin, Ekins etc Community Facilitators
Where’s the Beef?Where’s the Beef?
Link to Lab Notebook Page in WikiLink to Lab Notebook Page in Wiki
Link to Docking Results: Link to Docking Results: Lists of SMILES in GoogleDocs Lists of SMILES in GoogleDocs
(Rajarshi Guha)(Rajarshi Guha)
Using ChemSpider to archive Using ChemSpider to archive compound characterizationcompound characterization
Drexel-UCSF Malaria Data Set within the Context of Other CDD Community Neglected Disease Data Sets
Ugi-4CC Product tested in P. Falciparum Cell Assay in Collaborative Drug Discovery (CDD) Database
Useful Chemistry Ugi Compound in CDD (public login: usefulchemistry, Password: cddcdd)
Open Access Data Easily Exported from CDD Database
Outcome of Guha-Bradley-Rosenthal Outcome of Guha-Bradley-Rosenthal collborationcollboration