Goldbook title
IUPAC > Gold Book > alphabetical index > Q > quantitative structure–activity relationship (QSAR) in drug design
Gold G Icon
Indexes Download

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 pattern recognition techniques.
QSAR is often taken to be equivalent to chemometrics or multivariate statistical data analysis. It is sometimes used in a more limited sense as equivalent to Hansch analysis. 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
Interactive Link Maps
First Level Second Level Third Level
Cite as:
IUPAC. Compendium of Chemical Terminology, 2nd ed. (the "Gold Book"). Compiled by A. D. McNaught and A. Wilkinson. Blackwell Scientific Publications, Oxford (1997). XML on-line corrected version: (2006-) created by M. Nic, J. Jirat, B. Kosata; updates compiled by A. Jenkins. ISBN 0-9678550-9-8.
Last update: 2014-02-24; version: 2.3.3.
DOI of this term:
Original PDF version: The PDF version is out of date and is provided for reference purposes only. For some entries, the PDF version may be unavailable.
Current PDF version | Version for print | History of this term