Publications

Tatsuya Yoshizawa, Shoichi Ishida, Tomohiro Sato, Masateru Ohta, Teruki Honma, Kei Terayama (2024). Avoiding Reward Hacking in Multi-Objective Molecular Design: A Data-Driven Generative Strategy with a Reliable Design Framework. ChemRxiv.

Shoichi Ishida, Tanuj Aasawat, Masato Sumita, Michio Katouda, Tatsuya Yoshizawa, Kazuki Yoshizoe, Koji Tsuda, Kei Terayama (2023). ChemTSv2: Functional molecular design using de novo molecule generator. WIREs Computational Molecular Science, 13, e1680.

Tatsuya Yoshizawa, Shoichi Ishida, Tomohiro Sato, Masateru Ohta, Teruki Honma, Kei Terayama (2022). Selective Inhibitor Design for Kinase Homologs Using Multiobjective Monte Carlo Tree Search. Journal of Chemical Information and Modeling, 62(22), 5351–5360.