Book Cover J. Zupan, J. Gasteiger
Neural Networks in Chemistry and Drug Design: An Introduction

Accompanying Computer Programs

A Hopfield Program, HOPF
  The Hopfield neural networks are described on pages 58 and 363 of the book. You can download this program free of charge for an operating system of your choice:
Windows Linux IRIX Sun
Windows
95/98/NT/2000/XP
Linux
2.2/2.4/2.6
IRIX 5.3 Solaris 5.4
You may as well download the input file H.DAT
An Adaptive Bidirectional Associative Memory Program, ABAM
  The ABAM neural networks are described on pages 67-78, 360 and 363 of the book. You can download this program free of charge for an operating system of your choice:
Windows Linux IRIX Sun
Windows
95/98/NT/2000/XP
Linux
2.2/2.4/2.6
IRIX 5.3 Solaris 5.4
You may as well download the input file abam.dat
A Kohonen Neural Network Simulator
  The software package SONNIA, distributed by Molecular Networks GmbH, offers a chemistry oriented Kohonen neural networks simulator. For more information please contact info@mol-net.de.
A Suite of Neural Network Programs, SNNS
  SNNS (Stuttgart Neural Network Simulator) is a software simulator for neural networks on Unix workstations developed at the Institute for Parallel and Distributed High Performance Systems (IPVR) at the University of Stuttgart. The goal of the SNNS project is to create an efficient and flexible simulation environment for research on and application of neural nets.
Telecooperation in Spectroscopy, TeleSpec
  The TeleSpec project provides a tool for the simulation of infrared spectra, especially for compounds whose spectra are not available in any database. It is an example of a successfull application of neural networks to problems in chemistry.
Chemistry Related Software
  CORINA - fast, reliable, and efficient 3D structure generator.
PETRA - fast, reliable, and efficient calculation of physicochemical descriptors.