ACC	Accuracy
AD	Applicability domain
AutoML	Automated machine learning
CAS	Chemical Abstracts Service
CATMoS	Collaborative Acute Toxicity Modelling Suite
EPA	Environmental Protection Agency
EU	European Union
FAIR	Findability, Accessibility, Interoperability, and Reusability
FN	False negative
FP	False positive
kNN	k-nearest neighbours
LC 50	Acute inhalation toxicity
LD 50	Acute oral toxicity
MCC	Matthews correlation coefficient
ML	Machine learning
MW	Molecular weight
NN	Neural network
OECD	Organisation for Economic Co-operation and Development
PFASs	Per- and polyfluoroalkyl substances
PFHxS	Perfluorohexane sulfonate
PFOA	Perfluorooctanoic acid
PFOS	Perfluorooctane sulfonate
PRE	Precision
QMRF	QSAR Model Reporting Format
QSAR	Quantitative structure–activity relationship
RF	Random forest
ROS	Reactive oxygen species
SDF	Simple data format
SEN	Sensitivity
SHAP	SHapley Additive exPlanations
SMILES	Simplified molecular input line entry specification
SPE	Specificity
TEST	Toxicity Estimation Software Tool
TN	True negative
TP	True positive
U.S.	United States
WHO	World Health Organization
XGBoost	eXtreme Gradient Boosting