Artificial Neural Network Modeling of Phytoestrogen Binding to Estrogen Receptors

Title: Artificial Neural Network Modeling of Phytoestrogen Binding to Estrogen Receptors

Volume: 3 Issue: 7

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

Affiliation:

Keywords: QSAR, ANN, GRNN, Theoretical descriptors, ER-alpha, ER-beta

Abstract: 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.

Cite this article as:

Agatonovic-Kustrin S. and Turner V. J., Artificial Neural Network Modeling of Phytoestrogen Binding to Estrogen Receptors, Letters in Drug Design & Discovery 2006; 3 (7) . https://dx.doi.org/10.2174/157018006778194871