Subject: Re: Genetic algorithms in chemistry

From: Irene Nobeli <[email-masked]>
Date: Tue, 2 Nov 1999 09:13:43 +0000 ("GMT)

There is a -now relatively old- book by
Hugh Cartwright, the "Applications of Artificial Intelligence in
Chemistry", that includes some information on genetic algorithms and their
possible applications (this is one of the Oxford Chemistry Primers, we
have the 1995 edition). I suppose Dr Cartwright is probably the person to
talk to, visit his homepage at:
   http://www.chem.ox.ac.uk/researchguide/hmcartwright.html

Also a more recent application was the implementation of GAs in the
program GOLD (distributed by the Cambridge Crystallographic Data Centre).
This is a ligand docking program using flexible ligands.

Hope this helps.

I.

------------------------------------------------
Irene (Irilenia) Nobeli
Biomolecular Structure and Modelling Unit
Department of Biochemistry and Molecular Biology
University College London
Darwin Building
Gower Street
London
WC1E 6BT

[email-masked]
0171-419 3890
0171 504 2171

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