MODELACIÓN DEL ÍNDICE DE RETENCIÓN EN IMINAS USANDO DESCRIPTORES TOPS-MODE
AbstractIn the present work a study in quantitative structure-chromatographic retention index relationship (QSRR) in a family of imines, was realized. The model was obtained by means of Multiple Linear Regression (MLR). It exhibited coefficients r = 0,982 0, r2= 0,964 3, s=0,451 1, F(4,37)=249,66 y q2= 0,956, showing its acceptable statistical quality and it was compared with another model reported in the literature. For the generation of the present model TOPSMODE descriptors were used. Those are
descriptors of topological sub-structural nature which permitted the calculation of contribution of different
fragments to the retention index, giving a more clear idea of the relative influence of the above fragments in processes of partition in a chromatographic column.
Keywords: retention index, QSAR, QSRR, TOPS-MODE.
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