Mutagenic probability estimation of chemical compounds by a novel molecular electrophilicity vector and support vector machine

@article{Zheng2006MutagenicPE,
  title={Mutagenic probability estimation of chemical compounds by a novel molecular electrophilicity vector and support vector machine},
  author={Mingyue Zheng and Zhiguo Liu and Chunxia Xue and Weiliang Zhu and Kaixian Chen and Xiaomin Luo and Hualiang Jiang},
  journal={Bioinformatics},
  year={2006},
  volume={22 17},
  pages={2099-106}
}
MOTIVATION Mutagenicity is among the toxicological end points that pose the highest concern. The accelerated pace of drug discovery has heightened the need for efficient prediction methods. Currently, most available tools fall short of the desired degree of accuracy, and can only provide a binary classification. It is of significance to develop a discriminative and informative model for the mutagenicity prediction. RESULTS Here we developed a mutagenic probability prediction model addressing… CONTINUE READING