Re: CCL:QSAR software

["bill email" <hayden[ AT ]chemcomp.com>]

Hi.  Try Chemical Computing Group at;  http://www.chemcomp.com
 Thanks,
 Bill Hayden
 ----- Original Message -----
 From: Poda, Gennady <gep4[ AT ]cdc.gov>
 To: <chemistry[ AT ]ccl.net>
 Sent: Tuesday, March 21, 2000 7:30 AM
 Subject: CCL:QSAR software
 >
 > Dear CCLers,
 >
 > I am trying to collect information about QSAR software alternative to
 > well-known suites of Tripos and Oxford Molecular (mainly chemometrics,
 > freeware or for a reasonable price).
 >
 > So I would appreciate if you could site any competitive program (web
 site?)
 > which can do good QSAR work (NNs, GAs, PLS, GOLPE, etc.) with a good
 > descriptor set, variable selection/pruning/data preprocessing and model
 > validation (LOO, cross-validation, etc.). Any hints will be highly
 > appreciated.
 >
 > I will post a summary.
 >
 > Thanks a lot for your participation.
 >
 > Gennady Poda
 >
 > NIOSH/CDC
 > E-mail: gep4[ AT ]cdc.gov
 >
 >
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