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Open Notebook Science in Drug Discovery
Jean-Claude Bradley
August 24, 2010
Drug Discovery: Easing the Bottleneck
Associate Professor of ChemistryDrexel University
Industry and Academia Panel
CanOpen
Science and Drug
Discovery Mix?
Industry is Sharing More
Some Initiatives Promoting More Openness in Drug Discovery
Motivation: Faster Science, Better Science
TRUST
PROOF
Open Primary Research in Drug Design Open Primary Research in Drug Design using Web2.0 toolsusing Web2.0 tools
(blogs, wikis, Second Life, mailing (blogs, wikis, Second Life, mailing lists)lists)
Docking
Synthesis
Testing
Rajarshi GuhaIndiana U
JC BradleyDrexel U
Phil RosenthalUCSF
(malaria)
Dan ZaharevitzNCI
(tumors)
Tsu-Soo TanNanyang Inst.
Outcome of Guha-Bradley-Outcome of Guha-Bradley-Rosenthal collaborationRosenthal collaboration
Opportunities for Competitive Collaboration
Crowdsourcing Solubility Data
ONS Challenge Judges
ONS Submeta Award Winners
Data provenance: From Wikipedia to…
…the lab notebook and raw data
General Transparent Solubility Prediction
(Andrew Lang)
Integration of Multiple Web Services to Recommend Solvents
for Reactions
(Andrew Lang)
Integration into MyExperiment Workflows to Process Virtual Libraries
of Compounds
Peter Li (ChemTaverna
)
The Intersection of Open Notebooks (Bradley/Todd) and IP implications
Open Notebook could have blocked patent
if done earlier
Conclusions
•Open Science can play a role in Drug Discovery
•Open Notebook Science can be a useful tool in this context