Physics-Informed Generative Model for Drug-like Molecule Conformers.
David C. WilliamsNeil InalaPublished in: J. Chem. Inf. Model. (2024)
Keyphrases
- generative model
- drug discovery
- probabilistic model
- bayesian framework
- mixture model
- latent dirichlet allocation
- prior knowledge
- posterior probability
- discriminative learning
- em algorithm
- discriminative models
- semi supervised
- expectation maximization
- topic models
- object categories
- generative and discriminative models
- multiscale
- semi supervised learning
- pairwise
- feature space
- data mining