. 2018 May 29;126(5):057008. doi: 10.1289/EHP2998

Table 1.

List of the established toxicity values and chemical descriptors that were used for modeling in this study.

Toxicity value name (abbreviation) [units]	Mean (90% CI) [min–max]	Number of compounds^a	Global domain of applicability coverage^b
Oral exposure noncancer
Reference dose (RfD) [ $- \log_{10} mol / (kg \cdot d)$ ]	7.3 (5.4, 9.6) [3.6–14.5]	671	86.1%
RfD No observed adverse effect level (RfD NOAEL) [ $- \log_{10} mol / (kg \cdot d)$ ]	4.8 (2.8, 6.9) [1.8–8.4]	487	90.4%
RfD Benchmark dose (RfD BMD) [ $- \log_{10} mol / (kg \cdot d)$ ]	4.0 (1.8, 6.1) [1.1–6.8]	137	81.8%
RfD Benchmark dose lower limit (RfD BMDL) [ $- \log_{10} mol / (kg \cdot d)$ ]	4.4 (2.1, 6.5) [1.3–7.9]	137	81.8%
Oral exposure cancer
Oral slope factor (OSF) [ $\log_{10} kg \cdot d / mol$ ]	5.0 (2.8, 7.5) [1.5–10.7]	302	86.7%
Cancer potency value (CPV) [ $\log_{10} kg \cdot d / mol$ ]	5.2 (3.0, 7.6) [2.5–10.7]	225	81.6%
Inhalation exposure (noncancer and cancer)
Reference concentration (RfC) [ $- \log_{10} {mol / m}^{3}$ ]	6.8 (3.9, 9.4) [3.1–12.9]	152	61.7%
Inhalation unit risk (IUR) [ $\log_{10} m^{3} / mol$ ]	4.5 (2.2, 6.9) [ $- 0.1 - 10.1$ ]	150	71.8%

Note: CI, confidence interval.

^{^a}

Depending on the toxicity value, the number of compounds with an established number varied and was determined as described in “Methods.” See Table S1 for the chemical names, toxicity values, and their source (i.e., the federal or state agency that derived each value).

^{^b}

Percent of compounds from the Collaborative Estrogen Receptor Activity Prediction Project (CERAPP) chemical database of 32,464 compounds (Mansouri et al. 2016) within the global domain of applicability for the compounds with the corresponding toxicity values, based on Chemistry Development Kit (CDK) molecular descriptors and a Z-score cutoff $< 3$ . For a more restrictive Z-score cutoff $< 1$ , the percentages are 70%, 78%, 65%, 65%, 69%, 67%, 43%, and 54%.