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Molecular Design Method Using a Reversible Tree Representation of Chemical Compounds and Deep Reinforcement Learning.
Ryuichiro Ishitani
Toshiki Kataoka
Kentaro Rikimaru
Published in:
J. Chem. Inf. Model. (2022)
Keyphrases
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reinforcement learning
tree representation
dynamic programming
tree structure
relational databases
multi dimensional
data management