Artificial Neural Network Modeling of Phytoestrogen Binding to Estrogen Receptors

Author(s): S. Agatonovic-Kustrin, J. V. Turner

Journal Name: Letters in Drug Design & Discovery

Volume 3 , Issue 7 , 2006

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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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Article Details

Year: 2006
Page: [436 - 442]
Pages: 7
DOI: 10.2174/157018006778194871
Price: $65

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