PI	polyimide
Tg	glass transition temperature
ML	machine learning
MD	molecular dynamics
QSPR	quantitative structure–property relationships
LASSO	Least Absolute Shrinkage and Selection Operator
XGB	eXtreme Gradient Boosting
ANN	Artificial Neural Network
DNN	Deep Neural Network
ET	Extra Trees
GBDT	Gradient Boosting Decision Tree
LGBM	Light Gradient Boosting Machine
AB	AdaBoost regression
CATB	Categorical Boosting
GPR	Gaussian Process Regression
R2	coefficient of determination
MAE	mean absolute error
RMSE	root mean square error
SHAP	SHapley Additive exPlanations