Artificial Neural Network Modeling of Phytoestrogen Binding to Estrogen Receptors
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.
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Document Type: Research Article
Affiliations: School of Medicine - Rural Clinical Division, The University of Queensland, Locked Bag 9009, Toowoomba QLD 4350, Australia.
Publication date: September 1, 2006
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