Abstract
The lipophilicities and specific hydrophobic surface areas of sixteen bioactive heterocyclic compounds were determined by reversed-phase thin-layer chromatography using various eluent systems. The data were evaluated by principal component analysis (PCA), separately calculated from the correlation and covariance matrices, and by cluster analysis. The ratio of the variances explained by the first PC component was high and was very similar for both PCA methods, suggesting that the eluents have common elution characteristics. The lipophilicities and specific hydrophobic surface areas of the compounds are well separated on the two-dimensional non-linear maps of PC variables, indicating the different information contents of the two physico-chemical parameters. The information contents of cluster analysis and two-dimensional non-linear mapping techniques were found to be similar but not identical.
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