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. 2020 Jan 2;16(2):1300–1310. doi: 10.1021/acs.jctc.9b00890

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