THE DETERMINATION OF THE LARGEST SUBSTRUCTURES WITH A GENETIC ALGORITHM - APPLICATION IN SYNTHESIS DESIGN AND IN STRUCTURAL-ANALYSES OF BIOLOGICAL-ACTIVITY

With a genetic algorithm, a computer‐based optimization method that imitates the adaptation methods of nature, the maximum substructure common to two molecules can be found. Appropriate starting materials for the target of a synthesis can thus be found with this method. In an analogous procedure the largest substructure contained twice in a single molecule can be identified so that synthesis precursors can be used several times in a synthetic pathway, as exemplified with badion A (1). (Figure Presented.) Copyright © 1994 by VCH Verlagsgesellschaft mbH, Germany