Subject: CCL:cLogP calculator

From: "Nicholas Sobb" <[email-masked]>
Date: Thu, 12 Aug 1999 17:13:27 -0600

> > Subj:  cLogP calculator
>
> > Hello,  We have an ISIS database for our synthetic compound collection
> > (>20,000 cmpds right now).  We would like to add a well-validated
> > computational package for determining cLogP values.  Any suggestions out
> > there?  Thanks in advance!

CompuDrug's PrologP: Predicts partition coefficient of organic compounds in
octonal/water system.  Combines three different estimation methods based
upon the compound fragment/atoms.  Available in Windows and UNIX platforms.
DLL predictive engine for is available for in-house software developers.

Demo available at www.compudrug.com

Also available are programs predicting physico-chemical parameters (pKalc,
PrologP and PrologD), metabolism pathways (MetabolExpert), toxic effects
(HazardExpert) of compounds and assisting in HPLC method development
(EluEx).

Sincerely,

Nicholas Sobb

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