In the future, we need to develop methods and platforms to systematically evaluate the properties of molecules designed by machine learning as well as the practicality of the designed synthetic pathways. The computation of molecular property characterization and synthetic reactions using quantum chemical methods is very time intensive; therefore, the implementation of a high-throughput evaluation system is quite challenging. Of course, evaluation by exhaustive experiments is also very costly and cannot be a realistic solution. The establishment of a systematic evaluation method is an important issue for future research.