. Author manuscript; available in PMC: 2018 Jul 1.

Published in final edited form as: J Appl Toxicol. 2017 Jan 10;37(7):792–805. doi: 10.1002/jat.3424

Table 4.

Variable sets for model building

Variable set	Combination of input variables
I	DPRA + h-CLAT + KeratinoSens
II	LogP + LogS + LogVP + MP + BP + MW
III	DPRA + h-CLAT + KeratinoSens + LogP + LogS + LogVP + MP + BP + MW
IV	DPRA + h-CLAT + KeratinoSens + LogP

BP, boiling point; DPRA, direct peptide reactivity assay; h-CLAT, human cell line activation test; LogP, log octanol:water partition coefficient; LogS, log water solubility; LogVP, log vapor pressure; MP, melting point; MW, molecular weight.