Drug Design Using Reinforcement Learning with Graph-Based Deep Generative Models.
Sara Romeo AtanceJuan Viguera DiezOla EngkvistSimon OlssonRocío MercadoPublished in: J. Chem. Inf. Model. (2022)
Keyphrases
- generative model
- drug design
- reinforcement learning
- semi supervised
- probabilistic model
- protein structure prediction
- deep belief networks
- discriminative learning
- prior knowledge
- discriminative models
- protein protein interactions
- hierarchical hidden markov models
- conditional random fields
- em algorithm
- deep learning
- supervised learning
- generative and discriminative models
- expectation maximization
- drug discovery
- learning algorithm
- data sets
- unsupervised learning
- semi supervised learning
- high throughput
- dynamic programming
- maximum likelihood
- bayesian networks
- clustering algorithm
- machine learning