Multi-Objective De Novo Drug Design with Conditional Graph Generative Model.
Yibo LiLiang Ren ZhangZhenming LiuPublished in: CoRR (2018)
Keyphrases
- generative model
- drug design
- multi objective
- evolutionary algorithm
- probabilistic model
- primal sketch
- protein structure prediction
- prior knowledge
- genetic algorithm
- em algorithm
- drug discovery
- graph theory
- random walk
- semi supervised
- topic models
- protein protein interactions
- objective function
- quantitative structure activity
- expectation maximization
- information retrieval
- high dimensional