Deep Reinforcement Learning and Docking Simulations for autonomous molecule generation in de novo Drug Design.
Hao LiuQian WangXiaotong HuPublished in: MMAsia (2021)
Keyphrases
- drug design
- drug discovery
- reinforcement learning
- autonomous learning
- mass spectrometry
- protein structure prediction
- quantitative structure activity
- data analysis
- protein protein interactions
- dynamic programming
- scientific data
- systems biology
- biological systems
- learning algorithm
- early stage
- data collection
- information extraction
- association rules
- high level