Neural networks as a method for elucidating structure–property relationships for organic compounds

Abstract

The published data devoted to the use of the neural network approach in the simulation of structure–property relationships for organic compounds are reviewed. The basic principles of the neural network simulation are discussed along with the characteristic features of the neural network approach typical of the representation and classification of structural chemical data. Brief information on neural network models of spectral characteristics, reactivities, physicochemical properties and biological activities of organic compounds is presented. The bibliography includes 159 references.