QSAR study on benzenesulphonamide carbonic anhydrase inhibitors has been made using the most discriminatory Balaban index (J). The regression analysis has shown that even in monoparametric regression this index gave excellent results. Furthermore, using the combination of the Balaban Index (J) with the first-order Randic connectivity index ((1)chi) and indicator parameters, tremendous improvement in the statistics has been observed. The results are critically discussed on the basis of regression data and cross-validation parameters.
QSAR study on benzenesulphonamide carbonic anhydrase inhibitors: topological approach using Balaban index / A. Thakur;M. Thakur;P. V. Khadikar;C. T. Supuran;P. Sudele. - In: BIOORGANIC & MEDICINAL CHEMISTRY. - ISSN 0968-0896. - STAMPA. - 12:(2004), pp. 789-793. [10.1016/j.bmc.2003.10.058]
QSAR study on benzenesulphonamide carbonic anhydrase inhibitors: topological approach using Balaban index.
SUPURAN, CLAUDIU TRANDAFIR;
2004
Abstract
QSAR study on benzenesulphonamide carbonic anhydrase inhibitors has been made using the most discriminatory Balaban index (J). The regression analysis has shown that even in monoparametric regression this index gave excellent results. Furthermore, using the combination of the Balaban Index (J) with the first-order Randic connectivity index ((1)chi) and indicator parameters, tremendous improvement in the statistics has been observed. The results are critically discussed on the basis of regression data and cross-validation parameters.
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