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. Author manuscript; available in PMC: 2018 Dec 7.
Published in final edited form as: SAR QSAR Environ Res. 2017 Apr 20;28(4):297–310. doi: 10.1080/1062936X.2017.1311941

Table 1.

Input variables used in the ITS-2 network.

Input Nodes Description
LogKow, Cfree, and AUC120 LogKow is the log of the octanol-water partition coefficient, AUC120 the area under the flux curve at 120 hrs as a percentage of the applied dose and Cfree the free test chemical concentration in the mid epidermis multiplied by the thickness of viable epidermis expressed as a percentage of applied dose.
DPRACys, DPRALys Percentage of peptide remaining after reaction in the DPRA cysteine and lysine assay respectively
KEC1.5, KEC3, IC50 KEC1.5 and KEC3 are the amounts needed to see a 1.5 and 3 fold increase of luciferase activity in the KeratinoSens™ assay. IC50 is used to control for cell viability in the assay
CD86 EC150 (uM) Amount needed for 150% cell surface activation in the U937 assay
TIMES-SS Skin sensitization potency as predicted by the TIMES-SS module – non-sensitizer, weak and moderate/strong/extreme