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

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@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

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