國家衛生研究院 NHRI:Item 3990099045/8239
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    题名: Acquiring decision rules for predicting ames-negative hepatocarcinogens using chemical-chemical interactions
    作者: Tung, CW
    贡献者: National Environmental Health Research Center
    摘要: Chemical carcinogenicity is an important safety issue for the evaluation of drugs and environmental pollutants. The Ames test is useful for detecting genotoxic hepatocarcinogens. However, the assessment of Ames-negative hepatocarcinogens depends on 2-year rodent bioassays. Alternative methods are desirable for the efficient identification of Ames-negative hepatocarcinogens. This study proposed a decision tree-based method using chemical-chemical interaction information for predicting hepatocarcinogens. It performs much better than that using molecular descriptors with accuracies of 86% and 76% for validation and independent test, respectively. Four important interacting chemicals with interpretable decision rules were identified and analyzed. With the high prediction performances, the acquired decision rules based on chemical-chemical interactions provide a useful prediction method and better understanding of Ames-negative hepatocarcinogens.
    日期: 2014-08
    關聯: 9th IAPR International Conference on Pattern Recognition in Bioinformatics, PRIB 2014. 2014 Aug;8626 LNBI:1-9.
    Link to: http://dx.doi.org/10.1007/978-3-319-09192-1-1
    Cited Times(WOS): https://www.webofscience.com/wos/woscc/full-record/WOS:000345115700001
    Cited Times(Scopus): http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=84958523331
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