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Total posts by Gilles Marcou: 6
publication
·
2 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
·
9 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
·
9 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
·
9 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
·
9 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
·
10 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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