Skip to main content
. Author manuscript; available in PMC: 2017 Dec 21.
Published in final edited form as: Green Chem. 2016 Oct 6;18(24):6501–6515. doi: 10.1039/C6GC01836J

Table 3.

Statistical characteristics of LLNA results vs. external QSAR predictions (5-fold external cross-validation) for predicting human skin sensitization.

Model CCR Sensitivity PPV Specificity NPV Coverage
QSAR model 0.71 0.65 0.79 0.76 0.61 1.00
LLNA result 0.63 0.83 0.67 0.43 0.65 1.00
Combined (QSAR + LLNA) 0.82 0.88 0.90 0.76 0.72 0.52