Principal analysis in structure retention and retention activity studies of benzodiazepines

Pietrogrande, M.C., Dondi, F., Borea, P.A. and Bighi, C., 1989. Principal component analysis in structure-retention and retention-activity studies of benzodiazepines. Chemometrics and Intelligent Laboratory Systems, 5: 257-262. Chromatographic data for a series of thirteen benzodiazepines on six different reversed- and normal-phase systems were analyzed with the help of principal component analysis. Various structure-related descriptors were studied in order to derive information on hydrophobic, electronic and steric properties of solute molecules. Such a data processing strategy is useful in describing the relationship between benzodiazepine molecular structures and their chromatographic retention or their biological activity. © 1989.