Three-dimensional quantitative structure-activity relationship analysis of 37 6-azasteroids inhibitors was carried out by Topomer CoMFA.The new model's cross validation and correlation coefficient were q2=0.774 and r2=0.965,respectively.The results show that the model has good prediction ability and reliability.Virtual screening based on Topomer search of ligand,virtual screening based on molecular docking of receptor and molecular activity prediction of 3 D-QSAR model were applied to the new inhibitor grad...
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