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. Author manuscript; available in PMC: 2017 Jun 20.
Published in final edited form as: Chem Res Toxicol. 2016 Jun 10;29(6):1051–1063. doi: 10.1021/acs.chemrestox.6b00096

Table 5.

Correlations between the Predicted and Observed ISO Generated TNCO Yields from the PLSR Models

correlation predicted vs observed
ISO TNCO Group 1 Group 2 Group 5
TAR 0.487 0.814 0.857
NIC 0.878 0.815 0.632
CO 0.906 0.788 0.902