ABSTRACT
Classical chemometric QSAR methods for the analysis of quantitative structure-activity relationships (QSARs) are sometimes regarded to be out of fashion when compared with the rapid development of molecular modeling, structure-based design, and protein crystallography. In addition, an equation is more difficult to understand than a colored three-dimensional picture generated by computer graphics. However, classical QSAR methods still play an important role and will continue to be a useful tool in modern drug design.
