Adaboost	Adaptive Boosting Digital
AD	Applicability domain
DPPH	1,1-Diphenyl-2-picrylhydrazyl
GB	Gradient Boosting
IC50	Half-maximal inhibitory concentration
k-NN	k-nearest neighbor
MAE	Mean Absolute Error
MI	Mutual information
NAMs	New approach methodologies
PBPK	Physiologically Based Pharmacokinetic
QSAR	Quantitative Structure–Activity Relationship
R&D	Research and Development
RF	Random Forest
ROS	Reactive Oxygen Species
RMSE	Root-Mean-Squared Error
XGB	eXtreme Gradient Boosting