From billg@SCGROUP.BARRNET.NET  Mon Apr 11 19:26:03 1994
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Date: Mon, 11 Apr 94 15:20:07 PDT
From: billg@scg.fai.com (Marketing)
Message-Id: <9404112220.AA05482@scg.scg.fai.com>
To: chemistry@ccl.net
Subject: aqueous modeling code


Netters,

I am looking for a Windows-based PC software package that computes
various properties of aqueous systems. Examples include properties
such as free energies of solvation, pKa, partition coefficients,
solubilities, diffusion coefficients, etc. 

My guess is that any such package would be rule-based, but perhaps
there are some that include input from quantum-chemical calculations
as well.

I believe that MSI markets a code known as "Polaris" that fulfills
a similar function on UNIX-based platforms.

I would certainly appreciate any suggestions or comments that you
may have.


-Bill



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* William A. Glauser, Ph.D.     |    Internet:  billg@scg.fai.com   *
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