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

  1. akJ mol−1. bStandard deviation for the test set.
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