Balancing Exploration and Exploitation: Disentangled β-CVAE in De Novo Drug Design.
Guang Jun Nicholas AngDe Tao Irwin ChinBingquan ShenPublished in: CoRR (2023)
Keyphrases
- drug design
- balancing exploration and exploitation
- learning to rank
- reinforcement learning
- drug discovery
- human genome
- protein structure prediction
- mass spectrometry
- protein protein interactions
- quantitative structure activity
- information retrieval
- ranking functions
- document retrieval
- collaborative filtering
- protein sequences
- sequence data
- molecular biology
- supervised learning