Table 1.

Assessment of predicted PK parameter values in subjects across different methodologies for establishing partition coefficients. Compounds without sufficient terminal-phase data were excluded from AUC_0–∞, MRT, and Vd_ss analysis.

Metric	Distribution Configuration	AFE	AAFE	% < 3-Fold AAFE	r2
Cmax, μg/L N = 63	Rogers Equation	0.82	1.51	90%	0.9915
	logP_Optimized	0.84	1.34	97%	0.9952
	Kp_Optimized	0.96	1.20	100%	0.9917
Tmax, h N = 63	Rogers Equation	0.92	1.21	94%	0.8563
	logP_Optimized	0.91	1.24	95%	0.876
	Kp_Optimized	0.92	1.22	95%	0.8672
AUC0–t, μg*h/L N = 63	Rogers Equation	0.78	1.52	90%	0.9806
	logP_Optimized	0.82	1.42	94%	0.9812
	Kp_Optimized	0.89	1.30	97%	0.9829
AUMC, μg*h*h/L N = 63	Rogers Equation	0.65	1.84	84%	0.9139
	logP_Optimized	0.71	1.74	89%	0.9974
	Kp_Optimized	0.63	1.85	79%	0.9902
MRT, h N = 52	Rogers Equation	1.04	2.54	68%	0.654
	logP_Optimized	0.95	2.11	80%	0.6051
	Kp_Optimized	0.61	2.02	82%	0.6785
Vdss, L N = 52	Rogers Equation	1.20	2.63	70%	0.7766
	logP_Optimized	1.07	2.13	76%	0.9315
	Kp_Optimized	0.69	1.71	84%	0.9905