Nanoquantitative Structure-Property Relationship Modeling on C₄₂ Fullerene Isomers

Table 4

Characteristics of nano-QSPR models in leave-many-out analysis: C₄₂ isomers.

Id	Model					Training		Test
Equation (3)	Intercept	IFEGE	IIUGF × 10^−3		IJUGE		-stat		-stat
1	744.37	−1.27	−3.57		2.09	0.9797	360	0.9877	264
2	682.4	−1.21	−3.46		2.07	0.9788	369	0.9935	361
3	902.68	−1.48	−3.79		2.20	0.9794	376	0.9894	358
4	678.39	−1.22	−3.53		2.12	0.9853	534	0.9851	171
5	854.05	−1.49	−3.51		2.17	0.9828	458	0.9835	219
Equation (4)	Intercept	IFETB	IFUGB	IIUGF × 10^−3	IJUGE		-stat		-stat
6	−120.59	−19.88	37.19	−2.87	1.55	0.9901	568	0.9637	72
7	−277.84	−20.87	40.14	−2.30	1.54	0.9819	310	0.9814	154
8	−91.46	−20.86	39.01	−3.00	1.56	0.9878	459	0.9636	64
9	−225.97	−21.69	42.02	−2.35	1.48	0.9830	331	0.9794	139
10	−223.28	−18.71	36.37	−2.35	1.47	0.9887	497	0.9701	85