Subject: Neural network software for PC

From: "Durst, Gregory L." <[email-masked]>
Date: Wed, 15 Apr 1998 12:34:18 -0500

Hello CCL,
I have been looking into the use of neural networks for QSAR problems
and have found a nice shareware program for Windows 95 machines
(WinNN32) that I uploaded to the CCL archive. Jan asked that I announce
it, so here are the details. 
The program can be downloaded from:
ftp://www.ccl.net/pub/chemistry/software/MS-WIN95-NT/Neural-Networks

or the authors page:
http://www.geocities.com/SiliconValley/Lab/9052/winnn.html
(*there are links to chemistry applications of WinNN on this page)

WinNN32 uses a feed-forward, back propagation algorithm that has been
commonly used for "regression" type problems where you want to predict a
response from input parameters.  I have found the program easy to use
and relatively quick. Check it out if you are interested.

 ... for starters a select few QSAR/NN references (3 with datasets) ...
T. Aoyama, Y. Suzuki, H. Ichikawa, 'J. Med. Chem.', v33, (1990),
2583-2590.
T.A. Andrea and H. Kalayeh, 'J. Med. Chem.', v34, (1991), 2824-2836.
S.-S. So and W.G. Richards, 'J. Med. Chem.', v35, (1992), 3201-3207.
D.J. Livingstone and D.T. Manallack, 'J. Med. Chem.', v36, (1993),
1295-1297.
J.H. Wikel and E.R. Dow, 'Bioorg. Med. Chem. Let.', v3(4), (1993),
645-651.
-NN books-
J. Zupan and J. Gasteiger, "Neural Networks for Chemists: An
Introduction", VCH, Weinheim, 1993.
J. DeVillers, "Neural Networks in QSAR and Drug Design", Academic Press,
NY, 1996.

The usual disclaimer: I'm only pointing out the availability of the
WinNN program, all risks of using WinNN and it's results are your own.
Regards,
Greg
+---------------------------------------------------------------------+
|   Gregory L. Durst                   Computational Chemistry        |
|   phone:   317/337-3413              Dow AgroSciences               |
|   email:   [email-masked]        9330 Zionsville Rd.  306/D2    |
|                                      Indianapolis, IN  46268   USA  |
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