Additionally for all experiments, we maximize the predicted solubility, metabolic stability, cell permeability, drug-likeness as well as the predicted synthetic accessibility (SA) of the molecule and penalize for known toxic or uncommon substructures and molecular weight below 200 or above 600 Dalton. Each of the ten different objectives was scaled by a desirability function between 0 and 1, where low values correspond to undesirable ranges and high values to acceptable or good ranges of a molecular property (see Supporting Information for details on the scaling functions). The final optimization objective is the weighted average of the different scaled objective functions. In all experiments, we weighted the maximization of binding affinities with a factor of 5, minimization of binding affinity with a factor of 3 and all other properties with 1. Each of the three optimization tasks was run 100 times for 200 steps, starting from a randomly picked molecule from ChEMBL. The aggregated results for the different properties over the course of the optimization are depicted in Figure . Our proposed method is consistently able to optimize a query molecule with respect to the defined multi-objective value function. The weighted average of the different objective functions (dscore) increases on average from 0.64, 0.63 and 0.53 to 0.85, 0.9 and 0.82 for the three different experiments respectively. The method is able to find solutions that are predicted to meet the respective activity-profile while keeping desirable ADMET properties as well as QED and SA scores high. In experiment 3, however, the methods finds solutions that on average have a comparably lower SA score in order to meet the desired activity-profile. Table shows a few example molecules picked from the best final iteration for each of the three optimization tasks. Although the value function consists of many different and partially conflicting individual objectives our proposed method is consistently able to find molecules in the vast chemical space that meet the desirable ranges for all of the defined objectives.