3D-Quantitative Structure–Activity Relationship Studies on Benzothiadiazepine Hydroxamates as Inhibitors of Tumor Necrosis Factor-α Converting Enzyme

A set of 29 benzothiadiazepine hydroxamates having selective tumor necrosis factor‐α converting enzyme inhibitory activity were used to compare the quality and predictive power of 3D‐quantitative structure–activity relationship, comparative molecular field analysis, and comparative molecular similarity indices models for the atom‐based, centroid/atom‐based, data‐based, and docked conformer‐based alignment. Removal of two outliers from the...