Improving the Use of Ranking in Virtual Screening against HIV-1 Integrase with Triangular Numbers and Including Ligand Profiling with Antitargets.
Alfonso T. García-SosaUko MaranPublished in: J. Chem. Inf. Model. (2014)
Keyphrases
- virtual screening
- drug discovery
- chemical structures
- similarity searching
- scoring function
- chemical compounds
- early stage
- scientific data
- ranking algorithm
- binding sites
- web search
- systems biology
- high throughput
- ranking functions
- data mining
- data mining tools
- biological systems
- discovery process
- complex systems
- association rules