Bioisosteric similarity of drugs in virtual screening.
Michael C. HutterMarkus KrierPublished in: J. Cheminformatics (2010)
Keyphrases
- virtual screening
- drug discovery
- similarity searching
- chemical structures
- high throughput
- similarity queries
- binding sites
- similarity search
- scoring function
- similarity measure
- distance function
- chemical compounds
- systems biology
- microarray
- multimedia databases
- sequence data
- metric space
- data mining tools
- early stage
- distance measure
- data structure
- data sets