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QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP MODELS FOR PREDICTION OF ESTROGEN RECEPTOR BINDING AFFINITY OF STRUCTURALLY DIVERSE CHEMICALS
Citation:
Schmieder, P. K., G T. Ankley, O. G. Mekenyan, J. D. Walker, AND S P. Bradbury. QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP MODELS FOR PREDICTION OF ESTROGEN RECEPTOR BINDING AFFINITY OF STRUCTURALLY DIVERSE CHEMICALS. ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY. SETAC Press, Pensacola, FL, 22:1844-1854, (2003).
Description:
The demonstrated ability of a variety of structurally diverse chemicals to bind to the estrogen receptor has raised the concern that chemicals in the environment may be causing adverse effects through interference with nuclear receptor pathways. Many structure-activity relationship models have been developed to predict chemicals binding to the estrogen receptor as an indication of potential estrogenicity. Models based on either 2- or 3- dimensional molecular descriptions that have been used to predict potential for binding to the estrogen receptor are the subject of the current review...