Quantitative structure activity relationship model for predicting the depletion percentage of skin allergic chemical substances of glutathione

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@Article{Si2007255,
  author =       "Hongzong Si and Tao Wang and Kejun Zhang and 
                 Yun-Bo Duan and Shuping Yuan and Aiping Fu and Zhide Hu",
  title =        "Quantitative structure activity relationship model for
                 predicting the depletion percentage of skin allergic
                 chemical substances of glutathione",
  journal =      "Analytica Chimica Acta",
  volume =       "591",
  number =       "2",
  pages =        "255--264",
  year =         "2007",
  ISSN =         "0003-2670",
  DOI =          "DOI:10.1016/j.aca.2007.03.070",
  URL =          "http://www.sciencedirect.com/science/article/B6TF4-4NF7Y81-4/2/ac3d6187ae70344e4a0ed708969130c9",
  keywords =     "genetic algorithms, genetic programming, Gene
                 Expression Programming, Allergic contact dermatitis,
                 Quantitative structure activity relationship, Heuristic
                 method, Depletion percent of glutathione",
  abstract =     "A quantitative model was developed to predict the
                 depletion percentage of glutathione (DPG) compounds by
                 gene expression programming (GEP). Each kind of
                 compound was represented by several calculated
                 structural descriptors involving constitutional,
                 topological, geometrical, electrostatic and
                 quantum-chemical features of compounds. The GEP method
                 produced a nonlinear and five-descriptor quantitative
                 model with a mean error and a correlation coefficient
                 of 10.52 and 0.94 for the training set, 22.80 and 0.85
                 for the test set, respectively. It is shown that the
                 GEP predicted results are in good agreement with
                 experimental ones, better than those of the heuristic
                 method.",
}

Genetic Programming entries for Hong Zong Si Tao Wang Ke Jun Zhang Yun-Bo Duan Shuping Yuan Aiping Fu Zhi De Hu

Citations