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Calculation of stability constants of new metal-thiosemicarbazone complexes based on the qspr modeling using MLR and ANN methods

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In this study, the stability constants (logB11) of twenty-eight new complexes between several ion metals and thiosemicarbazone ligands were predicted on the basis of the quantitative structure property relationship (QSPR) modeling. The stability constants were calculated from the results of the QSPR models. The QSPR models were built by using the multivariate least regression (QSPRMLR) and artificial neural network (QSPRANN)

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Nội dung Text: Calculation of stability constants of new metal-thiosemicarbazone complexes based on the qspr modeling using MLR and ANN methods

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