BgN-Score and BsN-Score: Bagging and boosting based ensemble neural networks scoring functions for accurate binding affinity prediction of protein-ligand complexes.
Hossam M. AshtawyNihar R. MahapatraPublished in: BMC Bioinform. (2015)
Keyphrases
- scoring functions
- ensemble methods
- neural network
- scoring function
- ensemble learning
- prediction accuracy
- ensemble classifier
- base classifiers
- ensemble classification
- neural network ensemble
- drug design
- negative correlation learning
- random forest
- virtual screening
- majority voting
- random forests
- base learners
- learning algorithm
- decision tree ensembles
- training set
- machine learning
- randomized trees
- weak learners
- decision trees
- feature selection
- protein structure prediction
- imbalanced data
- classifier ensemble
- probabilistic model
- structure learning