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The estimation of retention factors by correlation equations with   physico-chemical properties can be of great helpl in chromatographic studies.   The retention factors were experimentally measured by RP-HPTLC on impregnated   silica gel with paraffin oil using two-component solvent systems. The   relationships between solute retention and modifier concentration were   described by Snyder’s linear equation. A quantitative structure-retention   relationship was developed for a series of s-triazine compounds by the   multiple linear regression (MLR) analysis. The MLR procedure was used to   model the relationships between the molecular descriptors and retention of   s-triazine derivatives. The physicochemical molecular descriptors were   calculated from the optimized structures. The physico-chemical properties   were the lipophilicity (log P), connectivity indices (χ), total energy (Et),   water solubility (log W), dissociation constant (pKa), molar refractivity   (MR), and Gibbs energy (GibbsE) of s-triazines. A high agreement between the   experimental and predicted retention parameters was obtained when the   dissociation constant and the hydrophilic-lipophilic balance were used as the   molecular descriptors. The empirical equations may be successfully used for   the prediction of the various chromatographic characteristics of substances,   with a similar chemical structure. [Projekat Ministarstva nauke Republike   Srbije, br. 31055, br. 172012, br. 172013 i br. 172014

Estimation of the retention behaviour of s-triazine derivatives applying multiple regression analysis of selected molecular descriptors