Au NC	Gold nanocluster
AAE	Approximate attribution enhancement
GCNN	Graph convolutional neural network
GNN	Graph neural network
SMILES	Simplified Molecular Input Line Entry System
DT	Decision tree
RF	Random forest
GBE	Gradient boosting ensemble
MLP	Multi-layer perceptron
SVC	Support vector classifier
KNN	K-nearest neighbors
RA	Reducing agent
ACC	Accuracy
MCC	Matthews correlation coefficient
ROC-AUC	Area under the receiver-operating-characteristic curve
PR-AUC	Area under the precision-recall curve
ECE	Expected calibration error
CASP	Computer-aided synthesis planning
CV	Cross-validation
DFT	Density functional theory