MARS: Markov Molecular Sampling for Multi-objective Drug Discovery.
Yutong XieChence ShiHao ZhouYuwei YangWeinan ZhangYong YuLei LiPublished in: ICLR (2021)
Keyphrases
- drug discovery
- multi objective
- virtual screening
- evolutionary algorithm
- chemical compounds
- drug design
- objective function
- pharmaceutical industry
- quantitative structure activity
- genetic algorithm
- scientific data
- early stage
- systems biology
- biological systems
- discovery process
- markov chain
- data mining
- data mining tools
- neural network
- knowledge discovery