ACS Omega
(Sep 2023)
Gargoyles: An Open Source Graph-Based Molecular Optimization Method Based on Deep Reinforcement Learning
- Daiki Erikawa,
- Nobuaki Yasuo,
- Takamasa Suzuki,
- Shogo Nakamura,
- Masakazu Sekijima
Affiliations
- Daiki Erikawa
- Department of Computer Science, Tokyo Institute of Technology, Yokohama, Japan
- Nobuaki Yasuo
- Academy for Convergence of Materials and Informatics (TAC-MI), Tokyo Institute of Technology, Tokyo, Japan
- Takamasa Suzuki
- Department of Computer Science, Tokyo Institute of Technology, Yokohama, Japan
- Shogo Nakamura
- Department of Life Science and Technology, Tokyo Institute of Technology, Yokohama, Japan
- Masakazu Sekijima
- Department of Computer Science, Tokyo Institute of Technology, Yokohama, Japan
- DOI
-
https://doi.org/10.1021/acsomega.3c05430
- Journal volume & issue
-
Vol. 8,
no. 40
pp.
37431
– 37441
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