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Gilles Marcou

Showing results (1-10 of 94) with videos related to

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Journal of Chemical Information and Modeling|January 24, 2007
Optimizing fragment and scaffold docking by use of molecular interaction fingerprintsGilles Marcou, Didier Rognan
Journal of Chemical Information and Modeling|June 24, 2008
Hot-spots-guided receptor-based pharmacophores (HS-Pharm): a knowledge-based approach to identify ligand-anchoring atoms in protein cavities and prioritize structure-based pharmacophoresCaterina Barillari, Gilles Marcou, Didier Rognan
Journal of Chemical Information and Modeling|May 7, 2020
"Big Data" Fast Chemoinformatics Model to Predict Generalized Born Radius and Solvent Accessibility as a Function of GeometryDragos Horvath, Gilles Marcou, Alexandre Varnek
Journal of Chemical Information and Modeling|December 18, 2015
Kernel Target Alignment Parameter: A New Modelability Measure for Regression TasksGilles Marcou, Dragos Horvath, Alexandre Varnek
Molecular Informatics|December 19, 2017
Monitoring of the Conformational Space of Dipeptides by Generative Topographic MappingDragos Horvath, Gilles Marcou, Alexandre Varnek
Drug Discovery Today. Technologies|January 2, 2021
Generative topographic mapping in drug designDragos Horvath, Gilles Marcou, Alexandre Varnek
Journal of Chemical Information and Modeling|November 11, 2020
Trustworthiness, the Key to Grid-Based Map-Driven Predictive Model Enhancement and Applicability Domain ControlDragos Horvath, Gilles Marcou, Alexandre Varnek
Molecules (Basel, Switzerland)|June 21, 2019
Generative Topographic Mapping of the Docking Conformational SpaceDragos Horvath, Gilles Marcou, Alexandre Varnek
Journal of Chemical Information and Modeling|June 5, 2013
Do not hesitate to use Tversky-and other hints for successful active analogue searches with feature count descriptorsDragos Horvath, Gilles Marcou, Alexandre Varnek
Molecular Informatics|July 28, 2016
ISIDA Property-Labelled Fragment DescriptorsFiorella Ruggiu, Gilles Marcou, Alexandre Varnek, et al.
Pageof 10

Showing results (1-10 of 94) with videos related to

Sort By:
Pageof 10
Journal of Chemical Information and Modeling|January 24, 2007
Optimizing fragment and scaffold docking by use of molecular interaction fingerprintsGilles Marcou, Didier Rognan
Journal of Chemical Information and Modeling|June 24, 2008
Hot-spots-guided receptor-based pharmacophores (HS-Pharm): a knowledge-based approach to identify ligand-anchoring atoms in protein cavities and prioritize structure-based pharmacophoresCaterina Barillari, Gilles Marcou, Didier Rognan
Journal of Chemical Information and Modeling|May 7, 2020
"Big Data" Fast Chemoinformatics Model to Predict Generalized Born Radius and Solvent Accessibility as a Function of GeometryDragos Horvath, Gilles Marcou, Alexandre Varnek
Journal of Chemical Information and Modeling|December 18, 2015
Kernel Target Alignment Parameter: A New Modelability Measure for Regression TasksGilles Marcou, Dragos Horvath, Alexandre Varnek
Molecular Informatics|December 19, 2017
Monitoring of the Conformational Space of Dipeptides by Generative Topographic MappingDragos Horvath, Gilles Marcou, Alexandre Varnek
Drug Discovery Today. Technologies|January 2, 2021
Generative topographic mapping in drug designDragos Horvath, Gilles Marcou, Alexandre Varnek
Journal of Chemical Information and Modeling|November 11, 2020
Trustworthiness, the Key to Grid-Based Map-Driven Predictive Model Enhancement and Applicability Domain ControlDragos Horvath, Gilles Marcou, Alexandre Varnek
Molecules (Basel, Switzerland)|June 21, 2019
Generative Topographic Mapping of the Docking Conformational SpaceDragos Horvath, Gilles Marcou, Alexandre Varnek
Journal of Chemical Information and Modeling|June 5, 2013
Do not hesitate to use Tversky-and other hints for successful active analogue searches with feature count descriptorsDragos Horvath, Gilles Marcou, Alexandre Varnek
Molecular Informatics|July 28, 2016
ISIDA Property-Labelled Fragment DescriptorsFiorella Ruggiu, Gilles Marcou, Alexandre Varnek, et al.
Pageof 10