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Open Notebook Science and Malaria Jean-Claude Bradley Drexel University September 6, 2007 Chemists Without Borders
Malaria is a Logical Application of Open Science Very large problem: 300-500 million cases per year with one million deaths Not a lucrative market: IP control less important
 
Open and Closed Science Traditional Lab Notebook (unpublished) Traditional Journal Article Open Access Journal Article Open Notebook  Science (full transparency) CLOSED OPEN
Where is Science headed? WE ARE HERE
The Robot Scientist
Self-organizing redundant processes Agents can participate with zero or near-zero cost (free hosted services – e.g. Google) Fully Open Access (Read and Write) Publication of all aspects of the scientific process: Open Source Science /  Open Notebook Science How will this happen?
How can machines know what is important? Ask the humans
UsefulChem Blog
What chemists think is important in 2005
Find-A-Drug
Diketopiperazine Library Evolves to: on pot Ugi reaction/cyclization First iteration: Solid Support Synthesis
The Molecules Blog
The Experiments Blog
Comments from peers
The UsefulChem Wiki
Telling the story of the failures
Experiments moved to wiki
Experiment History
Experiment Edits
Third Party Time-Stamp on Experiment Versions
Monitoring experimental progress
How are people finding our experiments?
Molecules found by InChI
usefulchem.blogspot.com The blog as an integrative tool
usefulchem.wikispaces.com/Exp049 The wiki as the laboratory notebook
Graphical Mining of Data with JSpecView usefulchem.wikispaces.com/Exp070 (48h 7 min)
Processing Molecules on ChemSpider
The CombiUgi Project Focus on cheap starting materials and a product that precipitate easily from solution
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.
UsefulChem and Open Science in Second Life scifooliveson.wikispaces.com

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