Deep generative models for ligand-based de novo design applied to multi-parametric optimization.
Quentin PerronOlivier MirguetHamza TajmouatiAdam SkiredjAnne RojasArnaud GohierPierre DucrotMarie-Pierre BourguignonPatricia Sansilvestri-MorelNicolas Do HuuFrançoise GellibertYann Gaston-MathéPublished in: J. Comput. Chem. (2022)
Keyphrases
- generative model
- parametric optimization
- probabilistic model
- prior knowledge
- em algorithm
- design process
- conditional random fields
- discriminative learning
- discriminative models
- generative and discriminative models
- hierarchical hidden markov models
- neural network
- pairwise
- learning process
- information extraction
- input output