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  2. QSAR study on benzenesulphonamide carbonic anhydrase inhibitors: topological approach using Balaban index

QSAR study on benzenesulphonamide carbonic anhydrase inhibitors: topological approach using Balaban index

  • Bioorg Med Chem. 2004 Feb 15;12(4):789-93. doi: 10.1016/j.bmc.2003.10.058.
Abhilash Thakur 1 Mamta Thakur Padmakar V Khadikar Claudiu T Supuran Purushottam Sudele
Affiliations

Affiliation

  • 1 Department of Chemistry, Bhopal Institute of Technology and Science, Bhopal, India.
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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