Definitions for quantitative structure-activity relationship
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U.S. National Library of Medicine
Quantitative Structure-Activity Relationship
A quantitative prediction of the biological, ecotoxicological or pharmaceutical activity of a molecule. It is based upon structure and activity information gathered from a series of similar compounds.
Quantitative structure–activity relationship
Quantitative structure–activity relationship models are regression or classification models used in the chemical and biological sciences and engineering. Like other regression models, QSAR regression models relate a set of "predictor" variables to the potency of the response variable, while classification QSAR models relate the predictor variables to a categorical value of the response variable. In QSAR modeling, the predictors consist of physico-chemical properties or theoretical molecular descriptors of chemicals; the QSAR response-variable could be a biological activity of the chemicals. QSAR models first summarize a supposed relationship between chemical structures and biological activity in a data-set of chemicals. Second, QSAR models predict the activities of new chemicals. Related terms include quantitative structure–property relationships when a chemical property is modeled as the response variable. As an example, biological activity can be expressed quantitatively as the concentration of a substance required to give a certain biological response.
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"quantitative structure-activity relationship." Definitions.net. STANDS4 LLC, 2014. Web. 20 Dec. 2014. <http://www.definitions.net/definition/quantitative structure-activity relationship>.