Quantitative structure-activity relationships of Benzodiazepines by recursive cascade correlation

摘要

An application of recursive cascade correlation to the quantitative structure-activity relationships (QSAR) of a class of Beneodiazepines is presented. Recursive cascade correlation is a neural network model recently proposed for the processing of structured data. This allows the direct treatment of the chemical compounds as labeled ordered trees, which constitutes a novel approach to QSAR. Our approach compares favorably versus the traditional QSAR treatment based on equations.