De novo Drug Design against SARS-CoV-2 Protein Targets using SMILES-based Deep Reinforcement Learning.
Xiuyuan HuYanghepu LiGuoqing LiuYang ZhaoHao ZhangLiang ZhaoPublished in: ICIT (2023)
Keyphrases
- drug design
- reinforcement learning
- protein structure prediction
- essential proteins
- drug discovery
- protein protein interactions
- tandem mass spectra
- mass spectrometry
- mass spectra
- quantitative structure activity
- protein protein
- graph theory
- human genome
- protein function
- sequence data
- protein structure
- coarse grained
- protein sequences
- statistical analysis
- dynamic programming
- learning algorithm
- machine learning