In Figure , we visualize two examples from the highest-reward molecules generated by MOLRL (VAE-CYC). The closest structurally known dual inhibitor is visualized next to each generated molecule with the maximum common substructure between the generated and the known inhibitor being highlighted. The common substructures are known hinge motifs in kinase inhibitors. Although MOLRL starts from random molecules, it generates molecules that contain the hinge motifs that are present in known inhibitors guided by the reward function.