Ligand expansion in ligand-based virtual screening using relevance feedback.
Ammar AbdoFaisal SaeedHamza HentabliAli AhmedNaomie SalimPublished in: J. Comput. Aided Mol. Des. (2012)
Keyphrases
- virtual screening
- drug discovery
- relevance feedback
- chemical structures
- similarity searching
- high throughput
- binding sites
- scoring function
- information retrieval systems
- document retrieval
- database
- image retrieval
- similarity search
- metric space
- active learning
- search engine
- information retrieval
- data management
- similarity queries
- data mining