Term: quantitative structure–activity relationships (QSAR)
https://doi.org/10.1351/goldbook.Q04981

Definition:
The building of structure–biological activity models by using regression analysis with physicochemical constants, indicator variables or theoretical calculations. The term has been extended by some authors to include chemical reactivity, i.e. activity is regarded as synonymous with reactivity. This extension is, however, discouraged.

Related Terms:
1) correlation analysis (http://doi.org/10.1351/goldbook.C01346).

Source: PAC, 1994, 66, 1077. 'Glossary of terms used in physical organic chemistry (IUPAC Recommendations 1994)' on page 1155 (https://doi.org/10.1351/pac199466051077)

Citation: 'quantitative structure–activity relationships (QSAR)' in IUPAC Compendium of Chemical Terminology, 5th ed. International Union of Pure and Applied Chemistry; 2025. Online version 5.0.0, 2025. https://doi.org/10.1351/goldbook.Q04981

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