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SAR and QSAR in Environmental Research Volume 8, 1998 - Issue 1-2
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Original Articles

Application of Kohonen Neural Networks in Classification of Biologically Active Compounds

D. B. Kirew Laboratory of Chemometrics, University of Orléans, BP 6759, 45067, Orléans CEDEX 2, France
,
J. R. Chretien Laboratory of Chemometrics, University of Orléans, BP 6759, 45067, Orléans CEDEX 2, France
,
P. Bernard Laboratory of Chemometrics, University of Orléans, BP 6759, 45067, Orléans CEDEX 2, France
&
F. Ros Laboratory of Chemometrics, University of Orléans, BP 6759, 45067, Orléans CEDEX 2, France
Pages 93-107 | Received 27 Mar 1997, Accepted 28 Jun 1997, Published online: 24 Sep 2006

Citations (18)

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F. Ros, K. Audouze, M. Pintore & J.R. Chrétien. (2000) Hybrid Systems for Virtual Screening: Interest of Fuzzy Clustering Applied to Olfaction. SAR and QSAR in Environmental Research 11:3-4, pages 281-300.
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Articles from other publishers (17)

Xianchao Pan, Li Chao, Wen Tan, Li Yang, Roman Podraza & Hu Mei. (2014) Emerging chemical patterns applied to prediction of P-glycoprotein inhibitors. Chemometrics and Intelligent Laboratory Systems 137, pages 140-145.
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Muthukumarasamy Karthikeyan & Renu VyasMuthukumarasamy Karthikeyan & Renu Vyas. 2014. Practical Chemoinformatics. Practical Chemoinformatics 133 194 .
Balemir Uragun & Ramesh Rajan. (2013) The discrimination of interaural level difference sensitivity functions: development of a taxonomic data template for modelling. BMC Neuroscience 14:1.
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Michael Reutlinger & Gisbert Schneider. (2012) Nonlinear dimensionality reduction and mapping of compound libraries for drug discovery. Journal of Molecular Graphics and Modelling 34, pages 108-117.
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Steven R. Talbot & Gerhard Sartorius. (2011) Multivariate adaptive embedding (MAE) for the identification of bacterial pathogens in the field. Engineering in Life Sciences 11:5, pages 468-475.
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Natalja Fjodorova, Marjan Vračko, Marjan Tušar, Aneta Jezierska, Marjana Novič, Ralph Kühne & Gerrit Schüürmann. (2009) Quantitative and qualitative models for carcinogenicity prediction for non-congeneric chemicals using CP ANN method for regulatory uses. Molecular Diversity 14:3, pages 581-594.
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Yan A. Ivanenkov & Ludmila M. Khandarova. 2009. Pharmaceutical Data Mining. Pharmaceutical Data Mining 457 489 .
Igor V. Pletnev, Yan A. Ivanenkov & Alexey V. Tarasov. 2009. Pharmaceutical Data Mining. Pharmaceutical Data Mining 423 455 .
Roberto Todeschini & Viviana Consonni. 2009. Molecular Descriptors for Chemoinformatics. Molecular Descriptors for Chemoinformatics 1 241 .
Frederic Ros, Serge Guillaume, Marco Pintore & Jacques R. Chrétien. (2007) Hybrid genetic algorithm for dual selection. Pattern Analysis and Applications 11:2, pages 179-198.
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Modest von Korff & Kurt Hilpert. (2006) Assessing the Predictive Power of Unsupervised Visualization Techniques to Improve the Identification of GPCR-Focused Compound Libraries. Journal of Chemical Information and Modeling 46:4, pages 1580-1587.
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Rajarshi Guha, Jon R. Serra & Peter C. Jurs. (2004) Generation of QSAR sets with a self-organizing map. Journal of Molecular Graphics and Modelling 23:1, pages 1-14.
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Stefan P Niculescu. (2003) Artificial neural networks and genetic algorithms in QSAR. Journal of Molecular Structure: THEOCHEM 622:1-2, pages 71-83.
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Peter Gedeck & Peter Willett. (2001) Visual and computational analysis of structure–activity relationships in high-throughput screening data. Current Opinion in Chemical Biology 5:4, pages 389-395.
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M Pintore. (2001) Database mining applied to central nervous system (CNS) activity. European Journal of Medicinal Chemistry 36:4, pages 349-359.
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Roberto Todeschini & Viviana Consonni. 2000. Handbook of Molecular Descriptors. Handbook of Molecular Descriptors 524 667 .
Martin Stahl, Chiara Taroni & Gisbert Schneider. (2000) Mapping of protein surface cavities and prediction of enzyme class by a self-organizing neural network. Protein Engineering, Design and Selection 13:2, pages 83-88.
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