By Mark Cronin, Judith Madden, Steven Enoch, David Roberts, Diana Anderson
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Extra resources for Chemical Toxicity Prediction: Category Formation and Read-Across
S. J. Enoch and M. T. D. Cronin, Development of new structural alerts suitable for chemical category formation for assigning covalent and noncovalent mechanisms relevant to DNA binding, Mut. Res. Genet. Toxicol. Environ. , 2012, 743, 10. 22. S. J. Enoch, M. T. D. Cronin and C. M. Ellison, The use of a chemistrybased profiler for covalent DNA binding in the development of chemical categories for read-across for genotoxicity, Altern. Lab. Anim. ATLA, 2011, 39, 131. 23. R. Benigni, C. Bossa and A.
In general, two types of structural alerts have been developed in the literature for category formation depending on the nature of the molecular initiating event: N Structural alerts defining the molecular features related to the formation of a covalent bond between a chemical and a biological macromolecule; View Online Approaches for Grouping Chemicals into Categories 14/10/2013 09:19:09. 1039/9781849734400-00030 N 33 Structural alerts defining the molecular features related to the formation of a non-covalent interaction between a chemical and a biological macromolecule.
J. Enoch, J. C. Madden and M. T. D. Cronin, Identification of mechanisms of toxic action for skin sensitisation using a SMARTS pattern based approach, SAR QSAR Environ. , 2008, 19, 555. 24. A. O. Aptula, G. Patlewicz, D. W. Roberts and T. W. Schultz, Nonenzymatic glutathione reactivity and in vitro toxicity: A non-animal approach to skin sensitisation, Toxicol. In Vitro, 2006, 20, 239. 25. D. W. Roberts, A. O. Aptula and G. Patlewicz, Electrophilic chemistry related to skin sensitisation. Reaction mechanistic applicability domain classification for a published data set of 106 chemicals tested in the mouse local lymph node assay, Chem.
Chemical Toxicity Prediction: Category Formation and Read-Across by Mark Cronin, Judith Madden, Steven Enoch, David Roberts, Diana Anderson