Design, synthesis and biological evaluation of 1, 3, 4-oxadiazole derivatives

…, A Samad, Y Kumar, M Shaharyar, RL Khosa…

Index: Jha, Keshari Kishore; Samad, Abdul; Kumar, Yatendra; Shaharyar, Mohd.; Khosa, Ratan Lal; Jain, Jainendra; Kumar, Vikash; Singh, Priyanka European Journal of Medicinal Chemistry, 2010 , vol. 45, # 11 p. 4963 - 4967

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Citation Number: 83

Abstract

3D QSAR analysis for the 21 molecules of 1, 3, 4-oxadiazoles was carried out by using k- Nearest Neighbor Molecular Field Analysis (kNN-MFA) combined with various selection procedures. 30 3D QSAR models were generated; one of these models was selected on the basis of q2 and pred_r2 values. The selected Model has training set of 17 molecules and test set of 4 molecules with validation (q2) and cross validation (pred_r2) values of 0.6969 ...