Predicting Elimination of Small-Molecule Drug Half-Life in Pharmacokinetics Using Ensemble and Consensus Machine Learning Methods.
Jianing FanShao-Hua ShiHong XiangLi FuYanjing DuanDong-Sheng CaoHongwei LuPublished in: J. Chem. Inf. Model. (2024)
Keyphrases
- machine learning methods
- ensemble methods
- machine learning
- machine learning algorithms
- random forests
- machine learning approaches
- cluster ensemble
- drug discovery
- ensemble learning
- learning algorithm
- base classifiers
- random forest
- classifier ensemble
- statistical methods
- decision trees
- clustering ensemble
- learned knowledge
- chemical compounds
- consensus clustering
- neural network
- daily life
- health care
- benchmark datasets
- model selection
- small number
- support vector machine
- training data
- data mining