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. Author manuscript; available in PMC: 2011 May 17.

Published in final edited form as: Chem Res Toxicol. 2010 May 17;23(5):918–925. doi: 10.1021/tx100003w

(a) Logk_a vs pEC3 for Michael acceptors, acetylating agents and S_N1/S_N2 reactivity domains. Significant positive correlations between LLNA pEC3 values and NBT reactivity was observed within the domains. (b.) Correlation between NBT reactivity and potency in the LLNA was still observed across all reactivity domains (r² = 0.74). DNCB NBT reactivity was observed, but was outside the predictive bands at 95% CI.

(a) Logk_a vs pEC3 for Michael acceptors, acetylating agents and S_N1/S_N2 reactivity domains. Significant positive correlations between LLNA pEC3 values and NBT reactivity was observed within the domains. (b.) Correlation between NBT reactivity and potency in the LLNA was still observed across all reactivity domains (r² = 0.74). DNCB NBT reactivity was observed, but was outside the predictive bands at 95% CI.