Benchmarking Deep Graph Generative Models for Optimizing New Drug Molecules for COVID-19.
Logan T. WardJenna A. BilbreySutanay ChoudhuryNeeraj KumarGanesh SivaramanPublished in: CoRR (2021)
Keyphrases
- generative model
- chemical compounds
- probabilistic model
- mixture model
- discriminative learning
- em algorithm
- hierarchical hidden markov models
- deep belief networks
- drug discovery
- object categories
- discriminative models
- semi supervised
- conditional random fields
- graph structure
- representational power
- discriminatively trained
- generative and discriminative models
- prior knowledge
- expectation maximization
- maximum entropy principle
- deep learning
- bayesian networks
- information extraction
- higher order
- language model
- hidden variables
- image processing
- semi supervised learning