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UsefulChem project: Open source chemical research with blogs and wikis . Jean-Claude.Bradley@drexel.edu September 14, 2006. American Chemical Society National meeting in San Francisco. Where is Science headed?. WE ARE HERE. The Robot Scientist. How will this happen?.
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UsefulChem project: Open source chemical research with blogs and wikis Jean-Claude.Bradley@drexel.edu September 14, 2006 American Chemical Society National meeting in San Francisco
Where is Science headed? WE ARE HERE
How will this happen? • Self-organizing reduntant processes • Agents can participate with zero or near-zero cost (free hosted services) • Fully Open Access (Read and Write) • Publication of all aspects of the scientific process: Open Source Science
How can machines know what is important? Ask the humans
Diketopiperazine Library First iteration: Solid Support Synthesis Evolves to: on pot Ugi reaction/cyclization
The value of peer review in finding information • Before Internet -> • “pre-validation” saves time when searching is laborious • Fewer publications to keep track of • After Internet -> • online availability is more valuable when searching is fast and easy • Many new publications - who are the peers?
The value of peer review in academia • These are two separate problems: • Communicating science • Justifying the value of scholarship
Open science connectivity More info on open source science here http://usefulchem.wikispaces.com
Next Steps • Incorporate our molecules into Emolecules to enable substructure searching • Custom CMLRSS feeds (e.g. only new commercial sources found) • Get spectra in JCAMP format • Extend our collaboration with other chemists (e.g. docking data) • Get our anti-malarials made and tested
Acknowledgments • Khalid Mirza (grad student) • James Giammarco (undergrad) • Lin Chen (undergrad) • Dave Strumfels (cheminformatics) • Bloggers (Egon Willighagen, Peter Murray-Rust, etc.)