Virtual Screening of Pharmaceutical Compounds with hERG Inhibitory Activity (Cardiotoxicity) using Ensemble Learning.
Aditya SarkarArnav BhavsarPublished in: CoRR (2021)
Keyphrases
- drug discovery
- ensemble learning
- virtual screening
- generalization ability
- chemical compounds
- ensemble methods
- early stage
- concept drift
- discovery process
- systems biology
- biological systems
- scientific data
- data mining tools
- feature selection
- data mining
- random forest
- data sets
- base classifiers
- semi supervised learning
- data streams