Table 3.

Summary of conditional toxicity value versus high-throughput screening toxicity value comparisons.

“Gold standard” toxicity value	In silico/in vitro predicted toxicity value	Linear model slope (log10-transformed) (p-value)	Median absolute deviationa	Adjusted $R^2$
NOAEL ($n=36$)	CTV NOAEL	1.25 ($2\times {10}^{-6}$)	0.66	0.47
	${\text{HTS}\text{OED}}_{05}$	0.52 (0.02)	1.11	0.12
BMDL ($n=14$)	CTV BMDL	1.17 ($9\times {10}^{-4}$)	0.58	0.59
	${\text{HTS}\text{OED}}_{05}$	0.35 (0.20)	1.06	0.06
RfD ($n=51$)	CTV RfD	0.99 ($2\times {10}^{-6}$)	0.72	0.36
	${\text{HTS}\text{OED}}_{05}$	0.32 (0.02)	2.68	0.09

Note: BMDL, benchmark dose lower confidence limit; CTV, conditional toxicity value; ${\text{HTS}\text{OED}}_{05}$, high-throughput screening–based oral equivalent dose lower 5% confidence limit; NOAEL, no observed adverse effect level; RfD, reference dose.

^aThe median of absolute residuals between ${\log }_{10}\text{-transformed}$ predicted and “gold standard” toxicity values.