The comparison between the model performance of this work and the literature.

Dataset	Number of compounds	Validation method	MAE (%)	RMSE (%)	R 2	Ref.
Pyridines-quinolines	41	5-Fold CV	—	16.74	—	Ser et al.13
Quinoxaline	40	5-Fold CV	—	15.97	—	Quadri et al.37
Pyridazines	20	5-Fold CV	—	14.69	—	Quadri et al.14
Ionic liquids	30	5-Fold CV	—	10.01	—	Quadri et al.15
Organic compounds	270	10-Fold CV	5.30	7.82	0.41	Dai et al.17
Organic compounds	317	10-Fold CV	4.80	6.40	0.72	This work