Integrating logic-based machine learning and virtual screening to discover new drugs.
Christopher ReynoldsMichael J. E. SternbergPublished in: J. Cheminformatics (2012)
Keyphrases
- virtual screening
- machine learning
- drug discovery
- chemical structures
- similarity searching
- knowledge representation
- binding sites
- high throughput
- scoring function
- data mining
- knowledge discovery
- machine learning methods
- databases
- metric space
- multi dimensional
- decision trees
- feature selection
- learning algorithm
- database
- statistical methods
- transfer learning
- scientific data
- data analysis