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