Table 2. Model Parameters for the LIE and ALIE Models of CYP2A6, 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	ALIE2	ALIE3
α	0.67	0.34	0.38	0.29
β	0.13	0.66	0.50
RMSE (kJ mol–1)	4.34	8.39	8.93	8.64
r2	0.03	0.59	0.53	0.59
Pearson’s r	0.18	0.77	0.73	0.77
Spearman’s ρ	0.16	0.76	0.76	0.74