QSAR study of anti-HIV HEPT analogues based on multi-objective genetic programming and counter-propagation neural network

Created by W.Langdon from gp-bibliography.bib Revision:1.3872

@Article{Arakawa:2006:CILS,
  author =       "Masamoto Arakawa and Kiyoshi Hasegawa and 
                 Kimito Funatsu",
  title =        "QSAR study of anti-HIV HEPT analogues based on
                 multi-objective genetic programming and
                 counter-propagation neural network",
  journal =      "Chemometrics and Intelligent Laboratory Systems",
  year =         "2006",
  volume =       "83",
  number =       "2",
  pages =        "91--98",
  month =        "15 " # sep,
  keywords =     "genetic algorithms, genetic programming,
                 Multi-objective optimisation, Variable selection, HEPT,
                 quantitative structure activity relationship",
  DOI =          "doi:10.1016/j.chemolab.2006.01.009",
  abstract =     "Quantitative structure-activity relationship (QSAR)
                 has been developed for a set of inhibitors of the human
                 immunodeficiency virus 1 (HIV-1) reverse transcriptase,
                 derivatives of
                 1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)thymine
                 (HEPT). Structural descriptors used in this study are
                 Hansch constants for each substituent and topological
                 descriptors. We have applied the variable selection
                 method based on multi-objective genetic programming
                 (GP) to the HEPT data and constructed the nonlinear
                 QSAR model using counter-propagation (CP) neural
                 network with the selected variables. The obtained
                 network is accurate and interpretable. Moreover in
                 order to confirm a predictive ability of the model, a
                 validation test was performed.",
}

Genetic Programming entries for Masamoto Arakawa Kiyoshi Hasegawa Kimito Funatsu

Citations