Table 3.

Prediction Accuracy of PK Parameters

PK parameter	Method	AFE$_{}^1$	AAFE$_{}^2$	$\%$2FE$_{}^3$	$\%$3FE$_{}^4$
$T_{1/2}(h)$	in vitro	1.42	2.12	47.5	80.0
	ML	1.36	2.18	55.0	75.0
$AU{C}_{0-\infty }(ng\ast h/ml)$	in vitro	1.36	2.59	47.5	62.5
	ML	0.81	2.00	65.0	82.5
CL(L/h/kg)	in vitro	0.74	2.59	47.5	62.5
	ML	1.23	2.00	65.0	82.5
$V{d}_{\mathit{ss}}$(L/kg)	in vitro	0.80	2.80	37.5	70.0
	ML	1.25	2.12	57.5	80.0

$_{}^1$ Average fold-error (Eq. 7)

$_{}^2$ Absolute Average Fold Error (AAFE) is calculated as follows:

$AAFE={10}^{\frac{1}{n}{\sum }_{i=1}^n\left|{log}_{10},\left(\frac{predicte{d}_i}{observe{d}_i}\right)\right|}\text{(8)}$

where $predicte{d}_i$ is the predicted value, $observe{d}_i$ is the observed value, and $n$ is the total number of predictions

$_{}^3$Fold Error (FE) is defined as:

$FE=\frac{predicte{d}_i}{observe{d}_i}\text{(9)}$

The percentage of prediction FE within 2 fold (%2FE) is calculated as:

$\%2FE=\frac{\text{Number of predictions FE values were within 2-fold error}}{\text{Total number of predictions}}\times 100\text{(10)}$

$_{}^4$The percentage of prediction FE within 3 fold (%3FE) is calculated as:

$\%3FE=\frac{\text{Number of predictions FE values were within 3-fold error}}{\text{Total number of predictions}}\times 100\text{(11)}$