TABLE 3.

Prediction results for the test data. The traditional method means LightGBM models with traditional descriptors

	r 2		RMSE		RRMSE
	Traditional method	Proposed method	Traditional method	Proposed method	Traditional method	Proposed method
1 J NH	0.977	0.992	1.65	0.98	0.151	0.090
1 J CH	0.959	0.990	3.70	1.82	0.203	0.100
2 J HH	0.903	0.986	1.25	0.48	0.312	0.120
2 J NH	0.858	0.981	1.39	0.51	0.378	0.139
2JCH	0.687	0.967	2.54	0.82	0.561	0.181
3 J HH	0.822	0.968	1.56	0.67	0.421	0.181
3 J CH	0.595	0.880	1.96	1.07	0.636	0.347
3 J NH	0.747	0.921	0.66	0.37	0.501	0.281