Combining SFCscore with Random Forests leads to improved affinity prediction for protein-ligand complexes.
David ZilianChristoph A. SotrifferPublished in: J. Cheminformatics (2013)
Keyphrases
- random forests
- drug design
- random forest
- ensemble methods
- prediction accuracy
- logistic regression
- contact map
- subcellular localization
- protein structure prediction
- protein complexes
- machine learning algorithms
- decision trees
- protein protein
- protein interaction
- tree ensembles
- drug discovery
- protein protein interactions
- predicting protein
- randomized trees
- decision tree ensembles
- protein structure
- virtual screening
- amino acids
- functional modules
- data sets
- conformal prediction