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Molecular generation strategy and optimization based on A2C reinforcement learning in de novo drug design.

Qian WangZhiqiang WeiXiaotong HuZhuoya WangYujie DongHao Liu
Published in: Bioinform. (2023)
Keyphrases
  • drug design
  • reinforcement learning
  • quantitative structure activity
  • protein structure prediction
  • drug discovery
  • protein protein interactions
  • optimization problems
  • learning algorithm
  • sequence data