Artificial Neural Network Modeling of Phytoestrogen Binding to Estrogen Receptors
J. V. Turner.
Differential pathophysiological roles of estrogen receptors alpha (ERα) and beta (ERβ) are of particular interest for phytochemical screening. A QSAR incorporating theoretical descriptors was developed in the present study utilizing sequential multiple-output artificial neural networks. Significant steric, constitutional, topological and electronic descriptors were identified enabling ER affinity differentiation.
Keywords: QSAR, ANN, GRNN, Theoretical descriptors, ER-alpha, ER-beta
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