Three-dimensional QSAR modeling benzimidazole Analogues using the k-nearest neighbor method
By: Sharma, M. C
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Contributor(s): Kohli, D. V.
Publisher: Mumbai Indian Drug Manufacture's Association - IDMA 2019Edition: Vol.56(12), Dec.Description: 62-67p.Subject(s): PHARMACEUTICSOnline resources: Click here
In:
Indian drugsSummary: We undertook the three-dimensional (3D) QSAR studies of a series of benzimidazole analogues to elucidate the structural properties required for angiotensin II. The 3D-QSAR studies were performed using the stepwise, simulated annealing (SA) and genetic algorithm (GA) selection k-nearest neighbor molecular field analysis approach; a leave-one-out cross-validated correlation coefficient q2 = 0.8216 and a pred_r2 = 0.7852 were obtained. The 3D QSAR model is expected to provide a good alternative to predict the biological activity prior to synthesis as antihypertensive agents.
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School of Pharmacy Archieval Section | Not for loan | 2020978 |
We undertook the three-dimensional (3D) QSAR studies of a series of benzimidazole analogues to elucidate the structural properties required for angiotensin II. The 3D-QSAR studies were performed using the stepwise, simulated annealing (SA) and genetic algorithm (GA) selection k-nearest neighbor molecular field analysis approach; a leave-one-out cross-validated correlation coefficient q2 = 0.8216 and a pred_r2 = 0.7852 were obtained. The 3D QSAR model is expected to provide a good alternative to predict the biological activity prior to synthesis as antihypertensive agents.
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