Subject: CCL: QSAR software

From: "Poda, Gennady" <[email-masked]>
Date: Tue, 21 Mar 2000 10:30:22 -0500

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: [email-masked]

---

From: "bill email" <[email-masked]>
Date: Wed, 22 Mar 2000 08:10:19 -0800

Hi.  Try Chemical Computing Group at;  http://www.chemcomp.com

Thanks,
Bill Hayden

----- Original Message -----
From: Poda, Gennady <[email-masked]>
To: <[email-masked]>
Sent: Tuesday, March 21, 2000 7:30 AM
Subject: CCL:QSAR software

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