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.