Ligand-Based Virtual Screening with Co-regularised Support Vector Regression.
Katrin UllrichMichael KampThomas GärtnerMartin VogtStefan WrobelPublished in: ICDM Workshops (2016)
Keyphrases
- virtual screening
- support vector regression
- drug discovery
- chemical structures
- similarity searching
- high throughput
- binding sites
- scoring function
- support vector
- regression model
- kernel function
- support vector classification
- support vector machine svm
- hybrid model
- support vector machine
- early stage
- similarity search
- metric space
- scientific data
- data analysis
- feature selection