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- Quantitative_structure–activity_relationship 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. In a nutshell, QSAR and QSPR tries to discern the relationship between molecular descriptors that describe the unique physico-chemical properties of the set of compounds of interest with their respective biological activity or chemical property.For 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, by carefully verifying the Applicability domain (AD).A QSAR has the form of a mathematical model: The error includes model error (bias) and observational variability, that is, the variability in observations even on a correct model.".
- Quantitative_structure–activity_relationship wikiPageID "826669".
- Quantitative_structure–activity_relationship wikiPageRevisionID "604681494".
- Quantitative_structure–activity_relationship subject Category:Cheminformatics.
- Quantitative_structure–activity_relationship subject Category:Computational_chemistry.
- Quantitative_structure–activity_relationship subject Category:Medicinal_chemistry.
- Quantitative_structure–activity_relationship subject Category:Paradoxes.
- Quantitative_structure–activity_relationship subject Category:Pharmacology.
- Quantitative_structure–activity_relationship comment "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.".
- Quantitative_structure–activity_relationship label "QSAR".
- Quantitative_structure–activity_relationship label "Quantitative Struktur-Wirkungs-Beziehung".
- Quantitative_structure–activity_relationship label "Quantitative structure-activity relationship".
- Quantitative_structure–activity_relationship label "Quantitative structure–activity relationship".
- Quantitative_structure–activity_relationship label "Relación cuantitativa estructura actividad".
- Quantitative_structure–activity_relationship label "Relation quantitative structure à activité".
- Quantitative_structure–activity_relationship label "Relazione quantitativa struttura-attività".
- Quantitative_structure–activity_relationship label "定量构效关系".
- Quantitative_structure–activity_relationship label "定量的構造活性相関".
- Quantitative_structure–activity_relationship sameAs Quantitative_structure%E2%80%93activity_relationship.
- Quantitative_structure–activity_relationship sameAs Quantitative_Struktur-Wirkungs-Beziehung.
- Quantitative_structure–activity_relationship sameAs Relación_cuantitativa_estructura_actividad.
- Quantitative_structure–activity_relationship sameAs Relation_quantitative_structure_à_activité.
- Quantitative_structure–activity_relationship sameAs Relazione_quantitativa_struttura-attività.
- Quantitative_structure–activity_relationship sameAs 定量的構造活性相関.
- Quantitative_structure–activity_relationship sameAs Quantitative_structure-activity_relationship.
- Quantitative_structure–activity_relationship sameAs Q766383.
- Quantitative_structure–activity_relationship sameAs Q766383.
- Quantitative_structure–activity_relationship wasDerivedFrom Quantitative_structure–activity_relationship?oldid=604681494.