N M Halberstam

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A method to build QSAR models based on substituent constants for congeneric sets of compounds having several topologically equivalent substituent positions was proposed. The approach is based on the application of artificial neural networks (learning to construct nonlinear structure-activity relationships taking into account necessary symmetry properties of(More)
An approach to the interpretation of backpropagation neural network models for quantitative structure-activity and structure-property relationships (QSAR/QSPR) studies is proposed. The method is based on analyzing the first and second moments of distribution of the values of the first and the second partial derivatives of neural network outputs with respect(More)
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