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De novo design of protein target specific scaffold-based Inhibitors via Reinforcement Learning.

Andrew D. McNaughtonMridula S. BonthaCarter R. KnutsonJenna A. PopeNeeraj Kumar
Published in: CoRR (2022)
Keyphrases
  • reinforcement learning
  • domain specific
  • function approximation
  • engineering design
  • genomic sequences
  • molecular dynamics
  • state space
  • design process
  • optimal policy
  • markov decision processes
  • tandem mass spectra