Matches in DBpedia 2016-04 for { <http://wikidata.dbpedia.org/resource/Q766383> ?p ?o }
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- Q766383 abstract "Quantitative structure–activity relationship models (QSAR 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 (X) to the potency of the response variable (Y), 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 (QSPR) 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. Additionally, when physicochemical properties or structures are expressed by numbers, one can find a mathematical relationship, or quantitative structure-activity relationship, between the two. The mathematical expression, if carefully validated can then be used to predict the modeled response of other chemical structures.A QSAR has the form of a mathematical model: Activity = f(physiochemical properties and/or structural properties) + errorThe error includes model error (bias) and observational variability, that is, the variability in observations even on a correct model.".
- Q766383 wikiPageExternalLink www.3d-qsar.com.
- Q766383 wikiPageExternalLink www.qsar.org.
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