3D-QSAR (three-dimensional quantitative structure–activity relationships)
Three-dimensional quantitative structure-activity relationships (3D-QSAR
) involve the analysis of the quantitative relationship between
the biological activity of a set of compounds and their
three-dimensional properties using statistical correlation methods.
PAC, 1997, 69, 1137
(Glossary of terms used in computational drug design (IUPAC Recommendations 1997))
on page 1142