Quantitative structure-activity relationships of Benzodiazepines by recursive cascade correlation
Published 27 November 2002
Anna Maria Bianucci, Alessio Micheli, Alessandro Sperduti, Antonina Starita
Citations14
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TL;DR
This application of recursive cascade correlation to the quantitative structure-activity relationships (QSAR) of a class of Beneodiazepines is presented and allows the direct treatment of the chemical compounds as labeled ordered trees, which constitutes a novel approach to QSAR.
Abstract
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
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ChemistryComputer Science
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