Chimio-informatique

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[1] Grenier, Pierre Anthony, Brun, Luc & Villemin, Didier. Taking into Account Stereoisomerism in the Prediction of Molecular Properties. In Proceedings of ICPR 2016 , Cancun , December 2016 .
bibtex ,PDF, HAL.

[2] Gauzere, Benoit, Grenier, Pierre-Anthony, Brun, Luc & Villemin, Didier. Treelet kernel incorporating cyclic, stereo and inter pattern information in Chemoinformatics. Pattern Recognition, 48( 2 ): 356-367, February 2015.
abstract , bibtex ,HAL, Pdf.

[3] Grenier, Pierre-Anthony, Brun, Luc & Villemin, Didier. From bags to graphs of stereo subgraphs in order to predict molecule's properties. In Cheng-Lin Liu, Bin Luo, Walter G. Kropatsch and Jian Cheng editors. , Proceedings of the 10 th IAPR-TC15 Workshop on Graph-based Representations (GbR) in Pattern Recognition , pages 305-314 , Bejing, China , May 2015 .
bibtex .

[4] Gauzere, Benoit, Brun, Luc & Villemin, Didier. Graph kernel encoding substituents relative positioning. In Proceedings of International Conference on Pattern Recognition (ICPR), 2014 , pages 6 p. , Stockholm(SE) , Sep 2014 .
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[5] Gauzere, Benoit, Brun, Luc & Villemin, Didier. Representation des cycles d'une molecule sous forme d'hypergraphe. In Actes de la conference RFIA 2014 , Rouen, France , Jun 2014 .
abstract , bibtex ,Description, pdf.

[6] Grenier, Pierre-Anthony, Brun, Luc & Villemin, Didier. Un noyau sur graphe prenant en compte la stereoisomerie des molecules. In Actes de la conference RFIA 2014 , France , Jun 2014 .
abstract , bibtex ,Description, pdf.

[7] Grenier, Pierre-Anthony, Brun, Luc & Villemin, Didier. A Graph Kernel incorporating molecule's stereisomerism information. In Proceedings of ICPR 2014 , pages - , Stockholm, Suede , Aug 2014 .
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[8] Gauzere, Benoit, Bougleux, Sebastien, Riesen, Kaspar & Brun, Luc. Approximate Graph Edit Distance Guided by Bipartite Matching of Bags of Walks. In Structural, Syntactic, and Statistical Pattern Recognition - JointIAPR International Workshop, S+SSPR 2014. Proceedings , pages 73--82 , Joensuu, Finland , August 20-22 2014 .
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[9] Gauzere, Benoit, Brun, Luc & Villemin, Didier. , Quantitative Graph Theory: Mathematical Foundations and Applications , chapter : Graph kernels in chemoinformatics , Discrete Mathematics and Its Applications , CRC Press 2014 .
bibtex ,Draft version(pdf).

[10] Grenier, Pierre-Anthony, Brun, Luc & Villemin, Didier. Incorporating Molecule's Stereisomerism within the Machine Learning Framework. In Structural, Syntactic, and Statistical Pattern Recognition - JointIAPR International Workshop, S+SSPR 2014. Proceedings , pages 12--21 , Joensuu, Finland , August 20-22 2014 .
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[11] Gauzere, Benoit, Brun, Luc & Villemin, Didier. A new hypergraph molecular representation. In Actes des 6 iemes Journees de la Chemoinformatique. , pages 1 , Nancy, France , Oct 2013 .
abstract , bibtex ,abstract, pdf.

[12] Grenier, Pierre-Anthony, Brun, Luc & Villemin, Didier. Chiral Kernel : Taking into account stereoisomerism. In 6emes journees de la Societe Francaise de Chemoinformatique (SFCi) , Nancy, France , Oct 2013 .
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[13] Grenier, Pierre-Anthony, Brun, Luc & Villemin, Didier. Treelet Kernel Incorporating Chiral Information. In 9th IAPR-TC15 International Workshop on Graph-based Representations in Pattern Recognition , Vienne, Autriche , May 2013 .
abstract , bibtex ,Abstact, PDF.

[14] Gauzere, Benoit, Brun, Luc & Villemin, Didier. Noyau de Treelets applique aux graphes etiquetes et aux graphes de cycles. Revue d'Intelligence Artificielle, 27( 1 ): 121-144, 2013.
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[15] Gauzere, Benoit, Brun, Luc & Villemin, Didier. Two new graphs kernels in chemoinformatics. Pattern Recognition Letters, 33( 15 ): 2038-2047, 2012.
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[16] Gauzere, Benoit, Brun, Luc & Villemin, Didier. Noyau de Treelets Applique aux Graphes Etiquetes. In Actes de RFIA 2012 , Lyon, France , Jan. 2012 .
abstract , bibtex ,paper (pdf).

[17] Gauzere, Benoit, Brun, Luc & Villemin, Didier. Graph Kernels Based on Relevant Patterns and Cycle Information for Chemoinformatics. In Proceedings of ICPR 2012 , pages 1775-1778 , Tsukuba, Japan , November 2012 .
bibtex ,Abstract and Pdf.

[18] Gauzere, Benoit, Brun, Luc & Villemin, Didier. Graph Kernels: Crossing Information from Different Patterns using Graph Edit Distance. In A. Imiya et al. editor. , Proceedings of S+SSPR2012 , pages 42-50 , Miyajima-Itsukushima, Hiroshima, Japan , November 2012 .
bibtex ,Abstract and Pdf.

[19] Gauzere, Benoit, Brun, Luc & Villemin, Didier. Deux nouveaux noyaux sur Graphes et leurs applications en chimioinformatique. In Apprentissage et Graphes pour les Systemes complexes (AGS) 2011 , pages 28-39 , May 2011 .
bibtex ,Abstract and Pdf.

[20] Gauzere, Benoit, Brun, Luc & Villemin, Didier. Two new Graph Kernels and Applications to Chemoinformatics. In Xiaoyi Jiang, Miquel Ferrer and Andrea Torsello editors. , In 8th IAPR - TC-15 Workshop on Graph-based Representations in Pattern Recognition (GBR'11) , pages 112-122 , May 2011 .
bibtex ,Abstract and Pdf.