QSAR study of anti-HIV HEPT analogues based on multi-objective genetic programming and counter-propagation neural network
Created by W.Langdon from
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- @Article{Arakawa:2006:CILS,
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author = "Masamoto Arakawa and Kiyoshi Hasegawa and
Kimito Funatsu",
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title = "QSAR study of anti-HIV HEPT analogues based on
multi-objective genetic programming and
counter-propagation neural network",
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journal = "Chemometrics and Intelligent Laboratory Systems",
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year = "2006",
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volume = "83",
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number = "2",
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pages = "91--98",
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month = "15 " # sep,
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keywords = "genetic algorithms, genetic programming,
Multi-objective optimisation, Variable selection, HEPT,
quantitative structure activity relationship",
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DOI = "doi:10.1016/j.chemolab.2006.01.009",
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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