"Molecular Design Method Using a Reversible Tree Representation of Chemical ..."

Ryuichiro Ishitani, Toshiki Kataoka, Kentaro Rikimaru (2022)

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DOI: 10.1021/ACS.JCIM.2C00366

access: open

type: Journal Article

metadata version: 2022-12-06

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  - https://dblp.org/rec/journals/jcisd/IshitaniKR22
Ryuichiro Ishitani, Toshiki Kataoka, Kentaro Rikimaru:
Molecular Design Method Using a Reversible Tree Representation of Chemical Compounds and Deep Reinforcement Learning. J. Chem. Inf. Model. 62(17): 4032-4048 (2022)

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