Next, molecular generation was performed using VGAE-MCTS to optimize for each of the two types of physicochemical properties values, QED and penalized logP, and in both cases, the accuracy was confirmed to be equal to or better than that of previous studies. The molecules generated by QED optimization are more drug-like than those generated by the models in the previous methods, indicating that VGAE-MCTS is a valuable method for use in drug discovery.