Prediction of Urease Inhibition Activity of 1,2,4-triazole Congeners by 2D QSAR Analysis

The objective of the present investigation was to obtain a QSAR model predict antiurease activity series 1,2,4-triazole congeners with reported IC50 values in order design new and better congeners. calculation descriptors done using CDK package correlation matrix developed all descriptors. All variables were subjected blind simulation select independent least inter-correlation high anti-urease action. A total 14 finalized for generation Ezqsar. MLR method used equation fit congeneric compounds. generated presented affecting urease inhibition action.With regression coefficient 0.9976 (R2), created determined have strong predictive power.