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NCTR Research Highlights

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Current Highlight from August 19, 2016

Modeling Compound Binding to the Estrogen Receptor        

NCTR scientists have developed a unique modeling approach to improve the ability to predict estrogen receptor binding activity of unknown chemicals. This model is known as three-dimensional spectrometric data activity relationship (3D-SDAR).Compared to alternative modeling techniques, 3D-SAR displayed very little reduction in sensitivity (ability to identify true positives) and specificity (ability to identify true negatives) performance between the training set and an external prediction set. The strength of the model is inherent in its ability to identify structural features essential for a compound to act as an estrogen. There is an ongoing concern that drugs and/or environmental contaminants may have developmental and/or reproductive effects by interfering with hormone function. Predictive models could serve to identify and prioritize the compounds of highest concern. A manuscript describing this study is available online at Environmental Toxicology and Chemistrydisclaimer icon.

For additional information, please contact Richard Beger, Ph.D., Director of Biomarkers and Alternative Models Branch, Division of Systems Biology, FDA/NCTR.
 

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National Center for Toxicological Research

Food and Drug Administration

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Page Last Updated: 08/23/2016
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