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