quantitative structure–activity relationship (QSAR)

in drug design
https://doi.org/10.1351/goldbook.QT06977
Quantitative structure–activity relationships (QSAR) are mathematical relationships linking chemical structure and pharmacological activity in a quantitative manner for a series of compounds. Methods which can be used in QSAR include various regression and @PT06976@ techniques.
QSAR is often taken to be equivalent to @CT06948@ or multivariate statistical data analysis. It is sometimes used in a more limited sense as equivalent to @HT06962@. QSAR is a subset of the more general term SPC.
Source:
PAC, 1997, 69, 1137. (Glossary of terms used in computational drug design (IUPAC Recommendations 1997)) on page 1149 [Terms] [Paper]
Citation: 'quantitative structure–activity relationship' in IUPAC Compendium of Chemical Terminology, 3rd ed. International Union of Pure and Applied Chemistry; 2006. Online version 3.0.1, 2019. https://doi.org/10.1351/goldbook.QT06977 RIS BibTex EndNote
Div. VIIPDFTextJSONHistory
Last revised: February 24, 2014