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UsefulChem project: Open source chemical research with blogs and wikis . [email protected] 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

UsefulChem project: Open source chemical research with blogs and wikis

[email protected]

September 14, 2006

American Chemical Society National meeting in San Francisco

slide4
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
slide9
Diketopiperazine Library

First iteration: Solid Support Synthesis

Evolves to: on pot Ugi reaction/cyclization

the value of peer review in finding information
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
The value of peer review in academia
  • These are two separate problems:
    • Communicating science
    • Justifying the value of scholarship
open science connectivity
Open science connectivity

More info on open source science here

http://usefulchem.wikispaces.com

next steps
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
Acknowledgments
  • Khalid Mirza (grad student)
  • James Giammarco (undergrad)
  • Lin Chen (undergrad)
  • Dave Strumfels (cheminformatics)
  • Bloggers (Egon Willighagen, Peter Murray-Rust, etc.)
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