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 @[email protected] techniques.
QSAR is often taken to be equivalent to @[email protected] or multivariate statistical data analysis. It is sometimes used in a more limited sense as equivalent to @[email protected] 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]