Improving scoring-docking-screening powers of protein-ligand scoring functions using random forest.
Cheng WangYingkai ZhangPublished in: J. Comput. Chem. (2017)
Keyphrases
- random forest
- scoring functions
- drug discovery
- virtual screening
- scoring function
- random forests
- drug design
- decision trees
- feature set
- fold cross validation
- ensemble methods
- base classifiers
- ensemble classifier
- multi label
- high throughput
- knowledge discovery
- decision tree learning algorithms
- data sets
- protein protein interactions
- higher order
- machine learning