CNSMolGen: A Bidirectional Recurrent Neural Network-Based Generative Model for De Novo Central Nervous System Drug Design.
Rongpei GouJingyi YangMenghan GuoYingjun ChenWeiwei XuePublished in: J. Chem. Inf. Model. (2024)
Keyphrases
- generative model
- drug design
- probabilistic model
- drug discovery
- protein structure prediction
- prior knowledge
- em algorithm
- quantitative structure activity
- protein protein interactions
- semi supervised
- human genome
- expectation maximization
- topic models
- natural language processing
- latent dirichlet allocation
- supervised learning
- data sources
- computer vision
- information retrieval