One Concept, Three Implementations of 3D Pharmacophore-Based Virtual Screening: Distinct Coverage of Chemical Search Space.
Gudrun M. SpitzerMathias HeissMartina MangoldPatrick MarktJohannes KirchmairGerhard WolberKlaus R. LiedlPublished in: J. Chem. Inf. Model. (2010)
Keyphrases
- drug discovery
- virtual screening
- search space
- binding sites
- chemical structures
- chemical compounds
- similarity searching
- early stage
- scientific data
- systems biology
- knowledge discovery
- gene expression
- discovery process
- biological systems
- data mining
- sequence data
- dna sequences
- metric space
- scoring function
- high throughput
- data management
- multi dimensional
- data warehouse
- optimal solution
- data sets