5-HT2A -As a proxy for on-target binding affinity, de novo molecules are docked into the 5-HT2A co-crystal structure bound to Risperidone (PDB: 6A93) using GlideSP close to one. To inject knowledge of aminergic binding interactions, a further docking constraint is applied to ensure that a docked pose contains a D155 3x32 polar interaction, the molecule is also scored to encourage a formal charge of 0 or 1. To help prevent exploitation of docking score limitations the molecule is scored to encourage the maximum number of consecutive rotatable bonds to be three or below. Thus, this is a multi-parameter optimisation problem (MPO) where final reward is computed as the arithmetic mean of all parameters.