Exploiting ensemble learning to improve prediction of phospholipidosis inducing potential.

Journal of Theoretical Biology(2019)

Cited 7|Views4
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Abstract
•Intensive data analysis using machine learning methods.•Molecular descriptors along with structural alerts as features.•Deep learning neural networks as best base learners.•Stacked ensemble with random forest as meta learner performed best.
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Key words
Phospholipidosis,Stacking,Hierarchical clustering,Cationic amphiphilic drugs,Deep learning,Ensemble learning
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