Support Vector Regression Scoring of Receptor-Ligand Complexes for Rank-Ordering and Virtual Screening of Chemical Libraries.
Liwei LiBo WangSamy O. MerouehPublished in: J. Chem. Inf. Model. (2011)
Keyphrases
- support vector regression
- virtual screening
- drug discovery
- chemical structures
- chemical compounds
- scoring function
- regression model
- support vector
- early stage
- support vector machine
- support vector machine svm
- kernel function
- similarity searching
- multimedia
- systems biology
- scientific data
- support vector classification
- hybrid model
- biological systems
- data mining tools
- binding sites
- discovery process
- ranking algorithm
- high dimensional
- data mining