Application of genetic algorithms in molecular modeling
Tilman Brodmeier, Ernö Pretsch · Journal of Computational Chemistry · 1994
Abstract A genetic algorithm has been developed for molecular mechanics calculations. It has been proved to be a robust and efficient structure optimization technique. Because it uses randomly generated starting structures and stochastic operators, the resulting structures are not subjected to the chemist's bias. © 1994 by John Wiley & Sons, Inc.