Chemical Toxicity Prediction: Category Formation and by Mark Cronin, Judith Madden, Steven Enoch, David Roberts, PDF

By Mark Cronin, Judith Madden, Steven Enoch, David Roberts, Diana Anderson

ISBN-10: 1849733848

ISBN-13: 9781849733847

The goal of this booklet is to supply the medical heritage to utilizing the formation of chemical different types, or teams, of molecules to permit for read-across i.e. the prediction of toxicity from chemical constitution. It covers the medical foundation for this method of toxicity prediction together with the the right way to workforce compounds (structural analogues and / or similarity, mechanism of motion) and the instruments to accomplish this. The ways to accomplish read-across inside of a chemical class also are defined. The ebook will offer concise sensible assistance for these wishing to use those tools (in hazard / possibility evaluate) and may be illustrated with case reports. Chemical Toxicity Prediction is the 1st publication that addresses the idea that of class formation and read-across for toxicity prediction in particular. This subject has relatively taken off some time past few years because of matters over facing the succeed in laws and in addition as a result availability of the OECD (Q)SAR Toolbox. a lot (lengthy and intricate) suggestions is obtainable on classification formation e.g. from the OECD and, to a lesser quantity, the ecu chemical substances organization yet there's no one unmarried resource of knowledge that covers all recommendations in a concise straight forward structure. there's a actual desire for this knowledge as in silico toxicology has come to the fore lately, essentially because of the european succeed in laws, but additionally as a result of many different drivers e.g. relief of animal checking out, Cosmetics law. type formation is visible because the merely sensible method of make rational and obvious predictions for advanced (human) toxicological endpoints. The e-book covers the entire components required to create a powerful type and practice read-across.

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Extra resources for Chemical Toxicity Prediction: Category Formation and Read-Across

Sample text

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.

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Chemical Toxicity Prediction: Category Formation and Read-Across by Mark Cronin, Judith Madden, Steven Enoch, David Roberts, Diana Anderson


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