Subject: Re: CCL:Qsar programs

From: Michael Doyle <[email-masked]>
Date: Mon, 23 Jun 1997 14:16:24 -0500

Dear Dr. Turjanski and Netters,

In response to >>>>>>

>
>> I'm intersted in any a program that can make a regresion analisis of 
>> a group of descriptors for a molecule and a set of analogues. 
>>  
>> Does anyone know of a program for modeling drug receptor interaction 
>> with semiempirical or ab initio methods? 

Please note that Molecular Simulations (MSI) provides a complete suite of
QSAR, decriptor and informatics tools. MSI also provides some very
interesting functionality in the form of the Genetic Function Approximation
Algorithm. This due to its ability to identify multiple solutions to the
patterns in underlying data, as well as performing outlier removal, is
sometimes a useful regression method.

MICHAEL DOYLE

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Michael Doyle @ MSI
Materials Informatics and QSAR 
Product Manager

WRK 281-364-8555
FAX 281-364-0210
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