Quantitative Structure-Retention Relationships in Reversed-phase Liquid Chromatography

1 Quantitative Structure-Retention Relationships in Reversed-phase Liquid Chromatography [Pg.109]

Various methods have been employed for the prediction of retention times in reversed-phase liquid chromatography. [Pg.109]

A quantitative analysis of the structure-retention relationship can be derived by using the relative solubility of solutes in water. One parameter is the partition coefficient, log P, of the analyte measured as the octanol-water partition distribution. In early work, reversed-phase liquid chromatography was used to measure log P values for drug design. Log P values were later used to predict the retention times in reversed-phase liquid chromatography.The calculation of the molecular properties can be performed with the aid of computational chemical calculations. In this chapter, examples of these quantitative structure-retention relationships are described. [Pg.109]