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Molecular Design Method Using a Reversible Tree Representation of Chemical Compounds and Deep Reinforcement Learning.

Ryuichiro IshitaniToshiki KataokaKentaro Rikimaru
Published in: J. Chem. Inf. Model. (2022)
Keyphrases
  • reinforcement learning
  • tree representation
  • dynamic programming
  • tree structure
  • relational databases
  • multi dimensional
  • data management