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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 VarnekJournal of Chemical Information and Modeling|December 18, 2015
Kernel Target Alignment Parameter: A New Modelability Measure for Regression TasksGilles Marcou, Dragos Horvath, Alexandre VarnekMolecular Informatics|December 19, 2017
Monitoring of the Conformational Space of Dipeptides by Generative Topographic MappingDragos Horvath, Gilles Marcou, Alexandre VarnekDrug Discovery Today. Technologies|January 2, 2021
Generative topographic mapping in drug designDragos Horvath, Gilles Marcou, Alexandre VarnekJournal 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 VarnekMolecules (Basel, Switzerland)|June 21, 2019
Generative Topographic Mapping of the Docking Conformational SpaceDragos Horvath, Gilles Marcou, Alexandre VarnekJournal 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 VarnekMolecular Informatics|July 28, 2016
ISIDA Property-Labelled Fragment DescriptorsFiorella Ruggiu, Gilles Marcou, Alexandre Varnek, et al.Molecular Informatics|April 20, 2017
Generative Topographic Mapping of Conformational SpaceDragos Horvath, Igor Baskin, Gilles Marcou, et al.Journal of Chemical Information and Modeling|July 14, 2016
Chemical Space Mapping and Structure-Activity Analysis of the ChEMBL Antiviral Compound SetKyrylo Klimenko, Gilles Marcou, Dragos Horvath, et al.Pageof 19