Comparison of AdaBoost and Genetic Programming for combining Neural Networks for Drug Discovery
Created by W.Langdon from
gp-bibliography.bib Revision:1.7954
- @InProceedings{langdon:2003:evowks,
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title = "Comparison of {AdaBoost} and Genetic Programming for
combining Neural Networks for Drug Discovery",
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author = "W. B. Langdon and S. J. Barrett and B. F. Buxton",
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booktitle = "Applications of Evolutionary Computing,
EvoWorkshops2003: Evo{BIO}, Evo{COP}, Evo{IASP},
Evo{MUSART}, Evo{ROB}, Evo{STIM}",
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editor = "G{\"u}nther R. Raidl and Stefano Cagnoni and
Juan Jes\'us Romero Cardalda and David W. Corne and
Jens Gottlieb and Agn\`es Guillot and Emma Hart and
Colin G. Johnson and Elena Marchiori and Jean-Arcady Meyer and
Martin Middendorf",
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volume = "2611",
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series = "LNCS",
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pages = "87--98",
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address = "University of Essex, UK",
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publisher = "Springer-Verlag",
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publisher_address = "Berlin",
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month = "14-16 " # apr,
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organisation = "EvoNet",
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year = "2003",
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keywords = "genetic algorithms, genetic programming, adaboost,
drug design, Receiver Operating Characteristics (ROC),
ensemble of classifiers, data fusion, artificial neural
networks, clementine, high through put screening
(HTS)",
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isbn13 = "978-3-540-00976-4",
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URL = "http://www.cs.ucl.ac.uk/staff/W.Langdon/ftp/papers/wbl_evobio2003.pdf",
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URL = "http://www.cs.ucl.ac.uk/staff/W.Langdon/ftp/papers/wbl_evobio2003.ps.gz",
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DOI = "doi:10.1007/3-540-36605-9_9",
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size = "12 pages",
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abstract = "Genetic programming (GP) based data fusion and
AdaBoost can both improve in vitro prediction of
Cytochrome P450 activity by combining artificial neural
networks (ANN). Pharmaceutical drug design data
provided by high throughput screening (HTS) is used to
train many base ANN classifiers. In data mining (KDD)
we must avoid over fitting. The ensembles do
extrapolate from the training data to other unseen
molecules. I.e. they predict inhibition of a P450
enzyme by compounds unlike the chemicals used to train
them. Thus the models might provide in silico screens
of virtual chemicals as well as physical ones from
GlaxoSmithKline (GSK)'s cheminformatics database. The
receiver operating characteristics (ROC) of boosted and
evolved ensemble are given.",
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notes = "Bagging, ensemble
EvoWorkshops2003",
- }
Genetic Programming entries for
William B Langdon
S J Barrett
Bernard Buxton
Citations