Studies of <i>Staphylococcus Aureus</i> Fabi Inhibitors: Fragment-Based Approach Based on Holographic Structure–Activity Relationship Analyses

Abstract

The final HQSAR model was robust and predictive according to statistical validation (q² and r²_pred equal to 0.696 and 0.854, respectively) and could be further employed to generate fragment contribution maps. Then, final HQSAR model together with FabI active site information can be useful for designing novel bioactive ligands.