Estimation of Molecular Parameters By Hplc

Abstract

In addition to quantitative analytical data, high pressure liquid chromatographic (HPLC) methods may be designed to collect correlation data. In particular, chromatographic retention data may be used to characterize the lipophilic nature of the solute and therefore may be used as a parameter in quantitative structure activity relationship (QSAR) which relate drug structure and pharmacological activity. Alternatively, chromatographic retention may be used as a parameter in the prediction of physical chemical properties of solute solubility, pKa, partition coefficient). Finally, it may be used merely for prediction of retention character of a similar compound in the present or related chromatographic system. of these studies prior to 1980 have been reviewed (1, 2).