Ligand-Based Virtual Screening Using Bayesian Networks.
Ammar AbdoBeining ChenChristoph MüllerNaomie SalimPeter WillettPublished in: J. Chem. Inf. Model. (2010)
Keyphrases
- virtual screening
- bayesian networks
- chemical structures
- drug discovery
- similarity searching
- scoring function
- structure learning
- high throughput
- binding sites
- probabilistic model
- probability distribution
- graphical models
- similarity search
- conditional independence
- database
- pairwise
- metric space
- random variables
- sequence data
- markov networks
- protein sequences
- early stage
- chemical compounds
- nearest neighbor