Quantitative structure activity relationship study on EC50 of anti-HIV drugs

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@Article{Si200815,
  author =       "Hongzong Si and Shuping Yuan and Kejun Zhang and 
                 Aiping Fu and Yun-Bo Duan and Zhide Hu",
  title =        "Quantitative structure activity relationship study on
                 EC50 of anti-HIV drugs",
  journal =      "Chemometrics and Intelligent Laboratory Systems",
  volume =       "90",
  number =       "1",
  pages =        "15--24",
  year =         "2008",
  ISSN =         "0169-7439",
  DOI =          "doi:10.1016/j.chemolab.2007.06.011",
  URL =          "http://www.sciencedirect.com/science/article/B6TFP-4P4NPBY-1/2/1df63d4bd3ed6dac5d3eaa1ccb30d478",
  keywords =     "genetic algorithms, genetic programming, gene
                 expression programming, GEP, Quantitative structure
                 activity relationship (QSAR), Support vector machine
                 (SVM), Heuristic method, Human immunodeficiency virus
                 (HIV), Nucleoside",
  abstract =     "A quantitative model was developed to predict the EC50
                 of nucleoside by the 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 the compound. The GEP
                 method produced a nonlinear quantitative model of the
                 five-descriptor with a correlation coefficient and a
                 mean error of 0.91 and 0.41 for the training set, 0.63
                 and 0.67 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
                 support vector machine.",
}

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

Citations