To verify whether the properties of the generated molecules match those of the training data, we randomly selected 100 molecules from the 20th epoch of the ChEMBL-MPO training set and calculated their attributes, including LogP , LogD, polar surface area , molecular weight, HBD, and pKa , along with their average MPO scores . The high degree of similarity between the two sets indicates that the generated molecules have successfully replicated the characteristics of the training molecules and conform to the physicochemical properties of CNS drugs (Table ).