A deep generative model for molecule optimization via one fragment modification.
Ziqi ChenMartin Renqiang MinSrinivasan ParthasarathyXia NingPublished in: Nat. Mach. Intell. (2021)
Keyphrases
- generative model
- probabilistic model
- mixture model
- em algorithm
- object categories
- bayesian framework
- prior knowledge
- discriminative learning
- conditional random fields
- posterior probability
- discriminative models
- semi supervised
- learned models
- topic models
- sparse coding
- markov chain monte carlo
- feature representations
- hierarchical bayesian model
- bayesian networks