A comprehensive comparative assessment of 3D molecular similarity tools in ligand-based virtual screening.
Zhenla JiangJianrong XuAixia YanLing WangPublished in: Briefings Bioinform. (2021)
Keyphrases
- virtual screening
- drug discovery
- chemical structures
- similarity searching
- binding sites
- scoring function
- high throughput
- similarity queries
- similarity measure
- metric space
- early stage
- data mining tools
- distance function
- databases
- similarity search
- end users
- scientific data
- statistically significant
- access methods
- distance measure
- data mining