APPLICATION OF GENETIC ALGORITHMS IN MOLECULAR MODELING

Authors
BRODMEIER T PRETSCH E
Citation
T. Brodmeier et E. Pretsch, APPLICATION OF GENETIC ALGORITHMS IN MOLECULAR MODELING, Journal of computational chemistry, 15(6), 1994, pp. 588-595
Citations number
22
Categorie Soggetti
Chemistry
Journal title
Journal of computational chemistry → ACNP
ISSN journal
01928651
Volume
15
Issue
6
Year of publication
1994
Pages
588 - 595
Database
ISI
SICI code
0192-8651(1994)15:6<588:AOGAIM>2.0.ZU;2-M
Abstract
A genetic algorithm has been developed for molecular mechanics calcula tions. It has been proved to be a robust and efficient structure optim ization technique. Because it uses randomly generated starting structu res and stochastic operators, the resulting structures are not subject ed to the chemist's bias. (C) 1994 by John Wiley & Sons, Inc.