Predicting Drug Interactions and Mutagenicity with Ensemble Classifiers on Subgraphs of Molecules.
Andrew J. SchaumbergAngela YuTatsuhiro KoshiXiaochan ZongSantoshkalyan RayadhurgamPublished in: CoRR (2016)
Keyphrases
- ensemble classifier
- chemical compounds
- graph data
- graph databases
- subgraph isomorphism
- ensemble learning
- drug discovery
- graph mining
- base classifiers
- ensemble methods
- random forest
- concept drift
- feature selection
- classification models
- biological networks
- data structure
- fusion method
- multi class
- multiresolution
- high dimensional
- pairwise