Subject: Re: CCL:Partition Coefficient Calculation

From: Eugen Leitl <eugen [] leitl.org>
Date: Tue, 19 Apr 2005 16:21:28 +0200

On Mon, Apr 18, 2005 at 04:21:57PM +0800, lhhu [] yangtze.hku.hk wrote:
> 
> Dear All,
> 
> I want to calculate LogP for a series of drug molecules. Any one could 
> recommend a program or method?

A number of methods are compared in http://pubwww.srce.hr/acphee/9104.pdf
(unfortunately, the statistical significance of above paper is about zero).

(I've made a relatively thorough websearch on *logP and docking in context of drug
discovery, and saved the results in http://leitl.org/docs/drug/ -- it might
be of some use).

HTH,

-- 
Eugen* Leitl <a href="http://leitl.org">leitl</a>
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