Fig. 4. Results for the best scoring (dscore) particle in the swarm over the course of optimization for 200 steps averaged over 100 runs for the three different optimization tasks. In addition to the objective (dscore) that is optimized, the average predicted potency (pIC₅₀) on both BACE1 and EGFR as well as the average scaled predicted solubility, metabolic stability, permeability, SA score and QED of the best scoring (dscore) particle is shown.