Predicting Carcinogenicity of Polycyclic Aromatic Hydrocarbons from Back-Propagation Neural Network. - Didier Villemin; Driss Cherqaoui; Abdelhalim Mesbah (J. Chem. Inf. Comput. Sci., 1994)

Neural Networks: Accurate Nonlinear QSAR Model for HEPT Derivatives. - Latifa Douali; Didier Villemin; Driss Cherqaoui (J. Chem. Inf. Comput. Sci., 2003)

Symbolic Learning vs. Graph Kernels: An Experimental Comparison in a Chemical Application. - Luc Brun; Donatello Conte; Pasquale Foggia; Mario Vento; Didier Villemin (ADBIS (Local Proceedings), 2010)

Two New Graph Kernels and Applications to Chemoinformatics. - Benoit Gaüzère; Luc Brun; Didier Villemin (GbRPR, 2011)

Graph kernels based on relevant patterns and cycle information for chemoinformatics. - Benoit Gaüzère; Luc Brun; Didier Villemin; Myriam Brun (ICPR, 2012)

Graph Kernels: Crossing Information from Different Patterns Using Graph Edit Distance. - Benoit Gaüzère; Luc Brun; Didier Villemin (SSPR/SPR, 2012)

Two new graphs kernels in chemoinformatics. - Benoit Gaüzère; Luc Brun; Didier Villemin (Pattern Recognit. Lett., 2012)

Relevant Cycle Hypergraph Representation for Molecules. - Benoit Gaüzère; Luc Brun; Didier Villemin (GbRPR, 2013)

Treelet Kernel Incorporating Chiral Information. - Pierre-Anthony Grenier; Luc Brun; Didier Villemin (GbRPR, 2013)

Noyau de Treelets appliqué aux graphes étiquetés et aux graphes de cycles. - Benoit Gaüzère; Luc Brun; Didier Villemin (Rev. d'Intelligence Artif., 2013)

Graph Kernel Encoding Substituents' Relative Positioning. - Benoit Gaüzère; Luc Brun; Didier Villemin (ICPR, 2014)

A Graph Kernel Incorporating Molecule's Stereisomerism Information. - Pierre-Anthony Grenier; Luc Brun; Didier Villemin (ICPR, 2014)

Incorporating Molecule's Stereisomerism within the Machine Learning Framework. - Pierre-Anthony Grenier; Luc Brun; Didier Villemin (S+SSPR, 2014)

From Bags to Graphs of Stereo Subgraphs in Order to Predict Molecule'S Properties. - Pierre-Anthony Grenier; Luc Brun; Didier Villemin (GbRPR, 2015)

Treelet kernel incorporating cyclic, stereo and inter pattern information in chemoinformatics. - Benoit Gaüzère; Pierre-Anthony Grenier; Luc Brun; Didier Villemin (Pattern Recognit., 2015)

Molecular modeling: Application of Support Vector Machines and Decision trees for anti-HIV activity prediction of organic compounds. - Imane Bjij; Ismail Hdoufane; Abdellah Jarid; Driss Cherqaoui; Didier Villemin (ICMCS, 2016)

Taking into account stereoisomerism in the prediction of molecular properties. - Pierre-Anthony Grenier; Luc Brun; Didier Villemin (ICPR, 2016)

Chemoinformatics and stereoisomerism: A stereo graph kernel together with three new extensions. - Pierre-Anthony Grenier; Luc Brun; Didier Villemin (Pattern Recognit. Lett., 2017)