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Total posts by Gilles Marcou: 6

publication · 3 years ago
Chemical Data Visualization and Analysis with Incremental Generative Topographic Mapping: Big Data Challenge
by Dragos Horvath, Gilles Marcou, Alexandre Varnek, Heléna A. Gaspar, Igor I. Baskin
publication · 10 years ago
Inductive Transfer of Knowledge: Application of Multi-Task Learning and Feature Net Approaches to Model Tissue-Air Partition Coefficients
by Gilles Marcou, Alexandre Varnek, Anil Kumar Pandey, Cedric Gaudin, Igor Baskin, Igor V. Tetko (Université Louis Pasteur)
publication · 10 years ago
Predicting the Predictability: A Unified Approach to the Applicability Domain Problem of QSAR Models
by Dragos Horvath, Gilles Marcou, Alexandre Varnek (Université de Strasbourg, Centre National pour la Recherche Scientifique (CNRS))
publication · 10 years ago
Hot-Spots-Guided Receptor-Based Pharmacophores (HS-Pharm): A Knowledge-Based Approach to Identify Ligand-Anchoring Atoms in Protein Cavities and Prioritize Structure-Based Pharmacophores
by Didier Rognan, Gilles Marcou, Caterina Barillari (Université de Strasbourg)
poster · 10 years ago
Predictive models to detect incorrect atom-atom mapping of reactions using condensed graph of reactions
by Gilles Marcou, Alexandre Varnek, Christophe Muller (Université de Strasbourg, Centre National pour la Recherche Scientifique (CNRS))
presentation · 11 years ago
Pharmacophore and physico-chemical property-colored fragmental descriptors 
by Dragos Horvath, Fiorella Ruggiu, Gilles Marcou, Alexandre Varnek (Université de Strasbourg, Centre National pour la Recherche Scientifique (CNRS))
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