4) DRD2 docking score -This 'medium' task aims to minimize the Glide-SP docking score (predicted binding affinity) against DRD2. This task is representative of a real objective during early-stage hit finding, providing that a crystal structure or homology model is available. It was implemented as described above with the exception that molecules were instead prepared by enumerating up to 16 stereoisomers using RDKit [71] and then conducting protonation using Epik (pH 7.4) to only protonate the most abundant state per stereoisomer.