Combining Pharmacophore Fingerprints and PLS-Discriminant Analysis for Virtual Screening and SAR Elucidation.
Sune AskjaerMorten LanggårdPublished in: J. Chem. Inf. Model. (2008)
Keyphrases
- discriminant analysis
- partial least squares
- drug discovery
- virtual screening
- binding sites
- face recognition
- linear discriminant analysis
- feature extraction
- principal component analysis
- similarity searching
- cluster analysis
- data mining
- databases
- gene expression
- dna sequences
- early stage
- statistical significance
- similarity search
- parameter estimation
- pattern recognition
- computer vision