quantitative structure–activity relationship (QSAR)

in drug design
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.
PAC, 1997, 69, 1137. (Glossary of terms used in computational drug design (IUPAC Recommendations 1997)) on page 1149 [Terms] [Paper]