In silico Prediction of Chemical Ames Mutagenicity

@article{Xu2012InSP,
  title={In silico Prediction of Chemical Ames Mutagenicity},
  author={Congying Xu and Feixiong Cheng and Lei Chen and Zheng Du and Weihua Li and Guixia Liu and Philip W. Lee and Yun Tang},
  journal={Journal of chemical information and modeling},
  year={2012},
  volume={52 11},
  pages={2840-7}
}
Mutagenicity is one of the most important end points of toxicity. Due to high cost and laboriousness in experimental tests, it is necessary to develop robust in silico methods to predict chemical mutagenicity. In this paper, a comprehensive database containing 7617 diverse compounds, including 4252 mutagens and 3365 nonmutagens, was constructed. On the basis of this data set, high predictive models were then built using five machine learning methods, namely support vector machine (SVM), C4.5… CONTINUE READING
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LIBSVM, version 2.9

  • C. Chang, C.-J. Lin
  • http://www.csie.ntu. edu.tw/∼cjlin/libsvm…
  • 2011

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