Table 3 Comparison of MLR models for estimating the Gibbs energy of sublimation.

From: Predicting the Enthalpy and Gibbs Energy of Sublimation by QSPR Modeling

Equation R2 Std. dev.a Largest deviationa R2 Std. dev.a,b
(train.) Positive Negative (test)
13 0.71 10.5 28.8 −45.4 0.66 8.6
14 0.51 12.6 50.2 −38.3 0.29 12.4
15 0.66 10.1 31.3 −37.5 0.54 9.9
16 0.67 10.1 29.9 −33.3 0.56 9.7