Molecular substructure tree generative model for de novo drug design.
Shuang WangTao SongShugang ZhangMingjian JiangZhiqiang WeiZhen LiPublished in: Briefings Bioinform. (2022)
Keyphrases
- generative model
- drug design
- quantitative structure activity
- probabilistic model
- protein structure prediction
- drug discovery
- em algorithm
- prior knowledge
- protein protein interactions
- semi supervised
- data mining
- topic models
- expectation maximization
- sequence data
- high precision
- mass spectrometry
- parameter estimation
- learning algorithm