Table 4. Model Parameters for the LIE and ALIE1 Models of CYP2E1, Together with Respective Root-Mean-Square Errors (RMSEs, with Respect to Experiment) and Correlation Metrics for the Set of Compounds Considered in This Work.
LIE | ALIE1 | |
---|---|---|
α | 0.70 | 0.40 |
β | 0.20 | 0.57 |
RMSE (kJ mol–1) | 5.14 | 8.81 |
r2 | 0.13 | 0.56 |
Pearson’s r | 0.36 | 0.75 |
Spearman’s ρ | 0.23 | 0.73 |