Fighting High Molecular Weight in Bioactive Molecules with Sub-Pharmacophore-Based Virtual Screening.
Modest von KorffJoël FreyssThomas SanderChristoph BossClaire-Lise CianaPublished in: J. Chem. Inf. Model. (2012)
Keyphrases
- virtual screening
- drug discovery
- binding sites
- chemical structures
- chemical compounds
- similarity searching
- early stage
- dna sequences
- sequence data
- gene expression
- scientific data
- statistical significance
- data mining tools
- knowledge discovery
- scoring function
- discovery process
- high throughput
- similarity search
- systems biology
- biological systems
- knn
- data mining