open notebook science in drug discovery

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