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The multivariate statistical techniques of principal component (or factor) analysis and target transformation factor analysis have been used to examine the reversed-phase high-performance liquid chromatography behavior of some 35 benzene derivatives In the solvent systems water/methanol/acetonltrlle and water/methanol/tetrahydrofuran. The factors extracted during these analyses are linked with chemical effects related to the influences of both solvent and solute on retention behavior. Also presented Is a strategy whereby the retention behavior of a wide range of solutes In diverse water/methanol/acetonitrlle solvents Is predicted (=5% root mean square error over 0.5 < k' < 20) using a small (3 X 4) matrix of retention values In binary solvents as a model training set, along with three retention values for each compound of Interest. The reliability of the prediction method Is discussed and the potential of the method Is demonstrated via comparisons of simulated resolution maps based on both predicted and experimental data.

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