Topological models for the prediction of antimycobacterial activity of 4-(5-substituted-1,3,4-oxadiazol-2-yl)pyridines

The present study was attempted to predict the antimycobacterial activity of 4-(5-substituted-1,3,4-oxadiazol-2-yl)pyridines. The QSAR studies revealed that topological molecular descriptors best described the antimycobacterial activity of 4-(5-substituted-1,3,4-oxadiazol-2-yl)pyridines. The mt-QSAR models depicted that valence first order molecular connectivity index ((1)chi(v)) governed the overall antimycobacterial activity of 4-(5-substituted-1,3,4-oxadiazol-2-yl)pyridines. The validation of QSAR models using an external test set revealed that these models can be used for the prediction of antimycobacterial activity of newer 1,3,4-oxadiazole derivatives.