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Roberts, D.W.; Schultz, T.W.; Wolf, E.M.; Aptula, A.O. Experimental Reactivity Parameters for Toxicity Modeling: Application to the Acute Aquatic Toxicity of SN2 Electrophiles to Tetrahymena pyriformis. Chem. Res. Toxicol. 2010, 23, 1, 228–234.
A diverse set of 60 haloaliphatic compounds were evaluated for reactivity with cysteine thiol groups in the previously described RC(50) assay using glutathione (GSH) as a model nucleophile. Reactivity was quantified by the RC(50) value, the concentration of test compound that produced 50% reaction o
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- Schultz, T.W.; Ralston, K.E.; Roberts, D.W.; Veith, G.D.; Aptula, A.O. Structure-activity relationships for abiotic thiol reactivity and aquatic toxicity of halo-substituted carbonyl compounds. SAR QSAR Environ. Res. 2007, 18, 1-2, 21–29.#933214
- Schultz, T.W.; Yarbrough, J.W.; Koss, S.K. Identification of reactive toxicants: Structure-activity relationships for amides. Cell Biol. Toxicol. 2006, 22, 5, 339–349.#933173
- Böhme, A.; Thaens, D.; Schramm, F.; Paschke, A.; Schüürmann, G. Thiol Reactivity and Its Impact on the Ciliate Toxicity of α,β-Unsaturated Aldehydes, Ketones, and Esters. Chem. Res. Toxicol. 2010, 23, 12, 1905–1912.#933031
- Akers, K.S.; Sinks, G.D.; Schultz, T.W. Structure-toxicity relationships for selected halogenated aliphatic chemicals. Environ. Toxicol. Pharmacol. 1999, 7, 1, 33–39.#933233
- Dearden, J.C.; Cronin, M.T.D.; Schultz, T.W.; Lin, D.T. QSAR Study of the Toxicity of Nitrobenzenes to Tetrahymena pyriformis. QSAR Comb. Sci. 1995, 14, 5, 427–432.#933159
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