Neural networks as a method for elucidating structure–property relationships for organic compounds
N.M. Halberstam, Igor I. Baskin, Vladimir A. Palyulin, N. S. Zefirov · Russian Chemical Reviews · 2003
The published data devoted to the use of the neural The published data devoted to the use of the neural network approach in the simulation of structure-property rela- network approach in the simulation of structure-property rela- tionships for organic compounds are reviewed. The basic princi- tionships for organic compounds are reviewed. The basic princi- ples of the neural network simulation are discussed along with the ples of the neural network simulation are discussed along with the characteristic features of the neural network approach typical of characteristic features of the neural network approach typical of the representation and classification of structural chemical data. the representation and classification of structural chemical data. Briefinformationon neuralnetwork modelsofspectralcharacter- Briefinformationonneuralnetworkmodelsofspectralcharacter- istics, reactivities, physicochemical properties and biological istics, reactivities, physicochemical properties and biological activities of organic compounds is presented. The bibliography activities of organic compounds is presented. The bibliography includes 159 references includes 159 references..