Figure 3 External validation results of the experimental vs. the
calculated values for ACGC models of critical properties:
(a) Tc, (b)Pc and (c) Vc.
3.2 Internal
validation
Figure 4 shows the error
distribution of application model and LOO-CV method. The results show
that the error distribution of LOO-CV model is consistent and completely
similar to the corresponding T c,P c, V c model, which
further demonstrates the stability and robustness of these models based
on groups, shape factor and topological location factors. In addition,
Figure 5 showed the relationship
between the experimental values and LOO-CV predicted values. Results
showed that most of data points were distributed compactly around the
diagonal. HighQ 2 values
for the model indicated the stability of our models,which were
0.9826,0.9820 and 0.9978 for T c,P c and V c, respectively.