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

The objective of this e-book is to supply the clinical history 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 clinical foundation for this method of toxicity prediction together with the how to team compounds (structural analogues and / or similarity, mechanism of motion) and the instruments to accomplish this. The methods to accomplish read-across inside a chemical type also are defined. The e-book will supply concise sensible counsel for these wishing to use those tools (in danger / risk evaluation) and should be illustrated with case stories. Chemical Toxicity Prediction is the 1st ebook that addresses the concept that of class formation and read-across for toxicity prediction in particular. This subject has quite taken off some time past few years as a result of matters over facing the succeed in laws and likewise as a result availability of the OECD (Q)SAR Toolbox. a lot (lengthy and intricate) assistance is offered on class formation e.g. from the OECD and, to a lesser quantity, the eu chemical compounds organisation yet there is not any one unmarried resource of data that covers all innovations in a concise easy structure. there's a genuine desire for this data as in silico toxicology has come to the fore in recent times, basically a result of european achieve laws, but additionally as a result of many different drivers e.g. aid of animal trying out, Cosmetics legislation. classification formation is visible because the simply functional method of make rational and obvious predictions for complicated (human) toxicological endpoints. The ebook covers all of the parts required to create a powerful type and practice read-across.

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

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C. Madden, formation of Mechanistic Categories and Local Models to Facilitate the Prediction of Toxicity, ALTEX - Altern. Anim. , 2011, 28, 45. G. Patlewicz, M. W. Chen, C. A. Bellin, Non-testing approaches under REACH - help or hindrance? Perspectives from a practitioner within industry, SAR QSAR Environ. , 2011, 22, 67. P. C. von der Ohe, V. Dulio, J. Slobodnik, E. De Deckere, R. U. Ebert, A. Ginebreda, W. De Cooman, G. Schu¨u¨rmann and W. Brack, A new risk assessment approach for the prioritization of 500 classical and emerging organic microcontaminants as potential river basin specific pollutants under the European Water Framework Directive, Sci.

Fisk, R. J. Wildey, A. E. Girling, H. Sanderson, S. E. Belanger, G. Veenstra, A. Nielsen, Y. Kasai, A. Willing, S. D. Dyer and K. Stanton, Environmental properties of long chain alcohols. Part 1: Physicochemical, environmental fate and acute aquatic toxicity properties, Ecotox. Environ. , 2009, 72, 980. 51. K. Olejniczak, R. T. Williams, T. Kuehler and P. Spindler, Summary of workshop on use of data developed during drug development for read across to environmental analyses, Drug Disc. , 2007, 41, 201.

However, the concept of using an AOP to guide in vitro testing enabling in silico profilers to be developed for category formation is of key importance. The approach requires extensive work to identify AOPs for a wide range of regulatory endpoints and then the development of additional in vitro assays that can be used to investigate the key mechanistic steps. Finally, the combination of existing in vivo data and new in vitro data can be used in conjunction with one another to develop in silico tools to enable chemicals to be grouped into mechanism-based categories.

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