Testing the limits of SMILES-based de novo molecular generation with curriculum and deep reinforcement learning.
Maranga MokayaFergus ImrieWillem P. van HoornAleksandra KaliszAnthony R. BradleyCharlotte M. DeanePublished in: Nat. Mac. Intell. (2023)
Keyphrases
- reinforcement learning
- function approximation
- robotic control
- mass spectrometry
- test cases
- machine learning
- cooperative learning
- generation process
- state space
- model free
- high school
- markov decision processes
- reinforcement learning algorithms
- supervised learning
- learning process
- multi agent systems
- multi agent
- e learning