On the relevance of query definition in the performance of 3D ligand-based virtual screening.
Javier VázquezRicardo GarcíaPaula LlinaresF. Javier LuqueEnric HerreroPublished in: J. Comput. Aided Mol. Des. (2024)
Keyphrases
- virtual screening
- drug discovery
- chemical structures
- relevance feedback
- similarity searching
- scoring function
- database
- query processing
- query expansion
- user queries
- high throughput
- user defined
- binding sites
- data sources
- access methods
- data structure
- information retrieval
- information retrieval systems
- multi dimensional
- multimedia databases
- probabilistic model
- similarity queries
- databases