Virtual Screening of Pharmaceutical Compounds with hERG Inhibitory Activity (Cardiotoxicity) using Ensemble Learning.
Aditya SarkarArnav BhavsarPublished in: BIOIMAGING (2021)
Keyphrases
- drug discovery
- ensemble learning
- virtual screening
- chemical compounds
- generalization ability
- ensemble methods
- random forest
- systems biology
- early stage
- biological systems
- scientific data
- base classifiers
- data mining
- discovery process
- learning algorithm
- text classification
- text mining
- concept drift
- feature vectors
- data mining tools
- data structure
- feature extraction
- machine learning