Nanoquantitative Structure-Property Relationship Modeling on C₄₂ Fullerene Isomers

Table 3

Characteristics of nano-QSPR models obtained on C₄₂ isomers.

Equation			se			%PredErr
(1)	0.8883	0.8857	0.4577	342; (4.38 × 10^−22)	18.05; (1.09 × 10^−21)	46.77	0.8656	0.5039	275; (1.56 × 10^−20)
(2)	0.9612	0.9593	0.2729	520; (2.32 × 10^−30)	6.69; (4.10 × 10^−8)	31.92	0.9545	0.2960	439; (8.48 × 10^−30)
(3)	0.9836	0.9824	0.1796	820; (1.30 × 10^−36)	4.37; (8.40 × 10^−5)	19.76	0.9809	0.1939	701; (3.80 × 10^−37)
(4)	0.9898	0.9888	0.1431	974; (2.87 × 10^−39)	3.55; (1.01 × 10^−3)	15.95	0.9768	0.2171	418; (2.28 × 10^−34)

: determination coefficient; : adjusted determination coefficient; se: standard error of estimate; : Fisher’s statistic (-value); : the minimum of absolute -statistic associated with the intercept and coefficients of the model; %PredErr: percentage prediction error; : determination coefficient in leave-one-out analysis; loo: leave-one-out analysis.