There are several caveats to this work. The latest version of DockOpt still requires a retrospective dataset to perform optimization. Without these molecules to serve as controls, DockOpt cannot assess whether a given model is of sufficient quality to warrant its use for prospective docking. Furthermore, while DockOpt is effective most DUDE-Z targets, it does not work on all of them. Therefore, our approach should not be mistaken for a universal solution to automatic optimization of docking models.