QuantumTox: Utilizing quantum chemistry with ensemble learning for molecular toxicity prediction.
Xun WangLulu WangShuang WangYongqi RenWenqi ChenXue LiPeifu HanTao SongPublished in: Comput. Biol. Medicine (2023)
Keyphrases
- ensemble learning
- ensemble classifier
- ensemble methods
- prediction accuracy
- generalization ability
- prediction model
- drug discovery
- random forest
- mutual subspace method
- data mining
- machine learning methods
- unlabeled data
- base classifiers
- nearest neighbor
- pairwise
- pattern recognition
- feature selection
- learning algorithm