Generative Models for Chemical Structures.
David H. WhiteRichard C. WilsonPublished in: J. Chem. Inf. Model. (2010)
Keyphrases
- generative model
- chemical structures
- probabilistic model
- similarity searching
- discriminative models
- virtual screening
- chemical compounds
- em algorithm
- discriminative learning
- prior knowledge
- conditional random fields
- topic models
- semi supervised
- drug discovery
- expectation maximization
- information retrieval
- markov networks
- data sets
- semi supervised learning
- data mining