Target-Specific Native/Decoy Pose Classifier Improves the Accuracy of Ligand Ranking in the CSAR 2013 Benchmark.
Denis FourchesRegina PolitiAlexander TropshaPublished in: J. Chem. Inf. Model. (2015)
Keyphrases
- high accuracy
- probability estimation
- fold cross validation
- ranking algorithm
- confusion matrix
- support vector machine classifier
- training data
- roc curve
- support vector machine
- web search
- feature selection
- unseen data
- individual classifiers
- classification rate
- pose estimation
- training samples
- decision trees
- support vector
- feature space
- computational cost
- improve the recognition accuracy
- machine learning
- highest accuracy
- feature reduction
- multiple classifier systems
- accurate classification
- training set
- classification accuracy
- d objects
- learning to rank
- ranking functions
- multi class
- classification algorithm
- feature set
- prediction accuracy
- training examples