致突变性的读写和计算机模型的层次规则。

Emilio Benfenati, Serena Manganelli, Sabrina Giordano, Giuseppa Raitano, Alberto Manganaro
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引用次数: 9

摘要

在ToxRead软件中已经实施了一套广泛的规则,用于读取细菌诱变的化学物质。这些规则是通过人工分析6000多种化学品和相关化学品类别而获得的。建立了一个等级规则来识别那些与目标化合物最具体相关的规则,并按顺序与其他可能与目标化合物匹配的更一般的规则相连接。发现了致突变性和不致突变性的相关规律。后者中的一些是致突变性规则的例外,而另一些是活性调节剂。这些规则也可用于预测突变性,具有良好的性能。
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Hierarchical Rules for Read-Across and In Silico Models of Mutagenicity.

A broad set of rules has been implemented within the ToxRead software for read-across of chemicals for bacterial mutagenicity. These rules were obtained by manually analyzing more than 6000 chemicals and the associated chemical classes. A hierarchy of rules was established to identify those most specifically relating to the target compounds, linked in sequence to the other, more generic ones, which may match with the target compound. Rules related to both mutagenicity and lack of mutagenicity were found. Some of the latter are exceptions to the mutagenicity rules, while others are modulators of activity. These rules can also be used to predict mutagenicity, offering good performance.

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来源期刊
CiteScore
6.20
自引率
0.00%
发文量
0
审稿时长
>24 weeks
期刊介绍: Journal of Environmental Science and Health, Part C: Environmental Carcinogenesis and Ecotoxicology Reviews aims at rapid publication of reviews on important subjects in various areas of environmental toxicology, health and carcinogenesis. Among the subjects covered are risk assessments of chemicals including nanomaterials and physical agents of environmental significance, harmful organisms found in the environment and toxic agents they produce, and food and drugs as environmental factors. It includes basic research, methodology, host susceptibility, mechanistic studies, theoretical modeling, environmental and geotechnical engineering, and environmental protection. Submission to this journal is primarily on an invitational basis. All submissions should be made through the Editorial Manager site, and are subject to peer review by independent, anonymous expert referees. Please review the instructions for authors for manuscript submission guidance.
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