RealVS: Toward Enhancing the Precision of Top Hits in Ligand-Based Virtual Screening of Drug Leads from Large Compound Databases.
Yueming YinHaifeng HuZhen YangHuajian XuJiansheng WuPublished in: J. Chem. Inf. Model. (2021)
Keyphrases
- virtual screening
- chemical structures
- drug discovery
- databases
- similarity searching
- high throughput
- binding sites
- scoring function
- similarity search
- high precision
- database systems
- chemical compounds
- drug design
- data sources
- biologically inspired
- multimedia databases
- gene expression
- data integration
- data warehouse
- knowledge discovery