Biased retrieval of chemical series in receptor-based virtual screening.
Natasja BrooijmansJason B. CrossChristine HumbletPublished in: J. Comput. Aided Mol. Des. (2010)
Keyphrases
- drug discovery
- virtual screening
- chemical structures
- chemical compounds
- similarity searching
- early stage
- image database
- image retrieval
- discovery process
- systems biology
- biological systems
- scientific data
- high throughput
- document retrieval
- relevance feedback
- data mining
- data mining tools
- multimedia databases
- information retrieval
- sequence data
- binding sites
- scoring function
- web search
- data structure