In terms of validity, this method employing molecular graphs always produced valid molecules (i.e., validity = 1), while MERMAID using SMILES produced strings that do not satisfy the SMILES grammar (i.e., validity = 0.7). Novelty and uniqueness were all 1 or nearly 1, confirming that there were no problems when viewed from these perspectives. The similarity shows higher values for this method clearly (Fig. ). Given that the similarity for all pairs of molecules in the ZINC dataset of approximately 250,000 molecules was 0.144, the molecules generated by this method can be considered to be similar to the starting molecules. The SA score was clearly better for this method. This may be due to the fact that the molecular graphs used in this method allow only the addition and deletion of single bonds, making it difficult to create complex structures.