: A Random Forest-Based Scoring Function for Improved Affinity Prediction of Protein-Ligand Complexes.
David ZilianChristoph A. SotrifferPublished in: J. Chem. Inf. Model. (2013)
Keyphrases
- random forest
- scoring function
- virtual screening
- drug design
- prediction accuracy
- drug discovery
- ensemble methods
- ensemble classifier
- decision trees
- feature set
- ranking functions
- similarity searching
- scoring functions
- structure learning
- multi label
- high throughput
- protein structure prediction
- protein complexes
- feature selection
- protein protein interactions
- protein interaction
- multi class
- active learning
- base classifiers
- sample size
- text mining