A knowledge-based expert rule system for predicting mutagenicity (Ames test) of aromatic amines and azo compounds

Highlights • Exposure to environmental chemicals is a major cause of occupational cancer. • Azo compounds and aromatic amines arise major environmental and health concerns. • A rule-based expert system was derived predicting mutagenicity of aromatic amines. • Toxicity of azo dyes was estimated based...

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Bibliographic Details
Published in:Toxicology (Amsterdam) 2016-08, Vol.370, p.20-30
Main Authors: Gadaleta, Domenico, Manganelli, Serena, Manganaro, Alberto, Porta, Nicola, Benfenati, Emilio
Format: Article
Language:English
Subjects:
Ames test
Amines
Amines - chemistry
Amines - toxicity
Aromatic amines
Aromatic compounds
Azo
Azo Compounds - chemistry
Azo Compounds - toxicity
Azo dyes
Databases, Factual
Emergency
Expert system
Humans
In silico
Knowledge Bases
Mathematical models
Models, Theoretical
Molecular Structure
Mutagenicity
Mutagenicity Tests
Mutagens - chemistry
Mutagens - toxicity
Toxicity
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Summary:Highlights • Exposure to environmental chemicals is a major cause of occupational cancer. • Azo compounds and aromatic amines arise major environmental and health concerns. • A rule-based expert system was derived predicting mutagenicity of aromatic amines. • Toxicity of azo dyes was estimated based on their aromatic amine metabolic products. • The expert system was implemented as a freely available KNIME workflow.
ISSN:0300-483X
1879-3185
DOI:10.1016/j.tox.2016.09.008