Selective Inhibitor Design for Kinase Homologs Using Multiobjective Monte Carlo Tree Search

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

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