Subject: QSAR Packages

From: Pat Walters <[email-masked]>
Date: Mon, 02 Jun 1997 05:34:08 -0700

> Dear CCL users,
>
>   I have been trying to do some QSAR but I have no proper softwares.
> I wonder if you could tell me how and where I can get the source code for
> the following programs:
>   1. Genetic algorithm
>   2. Neural network
>   3. Partial least squares
>   4. Non-linear partial least squares
>   5. Simulated annealing algorithm

An excellent free package is the QSAR program from Jay Ponder's group
at Washington University in St. Louis.  This program does Ordinary
Least Squares, PLS, PCR, and it comes with source code.  You can 
download QSAR from 

http://dasher.wustl.edu/

Have fun,

Pat

-- 
W. Patrick Walters, Ph.D.
Staff Scientist, Computational Chemistry and Molecular Modeling
Vertex Pharmaceuticals, Inc., 130 Waverley St., Cambridge, MA  02139  
Voice: (617)577-6000   FAX: (617)577-6400