Genetic Algorithm-Based Receptor Ligand: A Genetic Algorithm-Guided Generative Model to Boost the Novelty and Drug-Likeness of Molecules in a Sampling Chemical Space.
Mingyang WangZhengjian WuJike WangGaoqi WengYu KangPeichen PanDan LiYafeng DengXiaojun YaoZhitong BingChang-Yu HsiehTingjun HouPublished in: J. Chem. Inf. Model. (2024)
Keyphrases
- generative model
- drug discovery
- virtual screening
- chemical compounds
- pharmaceutical industry
- genetic algorithm
- markov chain monte carlo
- probabilistic model
- drug design
- bayesian framework
- discriminative learning
- em algorithm
- similarity searching
- prior knowledge
- real coded
- parameter space
- posterior probability
- biological systems
- systems biology
- discriminative models
- topic models
- semi supervised
- latent dirichlet allocation
- monte carlo
- space time
- latent space
- binding sites
- high throughput
- text mining
- image segmentation
- chemical reactions
- image processing
- computer vision