Comparison and Possible Use of In Silico Tools for Carcinogenicity Within REACH Legislation

Chiara Milan; Onofrio Schifanella; Alessandra Roncaglioni; Emilio Benfenati

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Comparison and Possible Use of In Silico Tools for Carcinogenicity Within REACH Legislation

机译：在REACH法规中用于致癌性的Insilico工具的比较和可能的用途

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Seven in silico models have been used to assess the prediction accuracy of chemical compound carcinogenicity. More than 1500 compounds with experimental values have been used to evaluate the models. Here we review the application of these models for toxicity prediction and their advantages and disadvantages, discussing the different approaches underlying the models and their main critical points. Some models have fewer false negatives while others are better at avoiding false positives. Since carcinogenicity is typically evaluated using a series of studies, identification of a strategy using one, or preferably a battery of in silico models, could reduce the number of animal studies needed.

机译：已使用七个计算机模型来评估化合物致癌性的预测准确性。具有实验值的1500多种化合物已用于评估模型。在这里，我们回顾了这些模型在毒性预测中的应用以及它们的优缺点，讨论了该模型所基于的不同方法及其主要关键点。一些模型的误报率较低，而其他模型则更好地避免了误报率。由于通常使用一系列研究评估致癌性，因此使用一个或最好是计算机模拟模型来确定策略，可以减少所需的动物研究次数。

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来源
《Journal of Environmental Science and Health》 |2011年第4期|p.300-323|共24页
作者
Chiara Milan; Onofrio Schifanella; Alessandra Roncaglioni; Emilio Benfenati;
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作者单位

Laboratory of Chemistry and Environmental Toxicology, Istituto di Ricerche Farmacologiche Mario Negri, Milano, Italy;

Laboratory of Chemistry and Environmental Toxicology, Istituto di Ricerche Farmacologiche Mario Negri, Milano, Italy;

Laboratory of Chemistry and Environmental Toxicology, Istituto di Ricerche Farmacologiche Mario Negri, Milano, Italy;

Laboratory of Chemistry and Environmental Toxicology, Istituto di Ricerche Farmacologiche Mario Negri, Milano, Italy;

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原文格式 PDF
正文语种 eng
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关键词
alternative methods; REACH; QSAR; carcinogenicity;

机译：替代方法;达到;QSAR;致癌性;

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7. The CAESAR project for in silico models for the REACH legislation [O] . Emilio Benfenati 2010

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Comparison and Possible Use of In Silico Tools for Carcinogenicity Within REACH Legislation

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