Virtual Screening of Molecular Databases Using a Support Vector Machine.
Robert N. JorissenMichael K. GilsonPublished in: J. Chem. Inf. Model. (2005)
Keyphrases
- virtual screening
- chemical structures
- drug discovery
- databases
- support vector machine
- similarity searching
- high throughput
- binding sites
- database
- scoring function
- support vector
- feature selection
- knowledge discovery
- chemical compounds
- data model
- early stage
- data management
- similarity search
- feature space
- training data
- database systems
- machine learning
- low dimensional
- data mining
- metric space
- nearest neighbor
- relational databases
- metadata