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Alexandre Varnek

Showing results (21-30 of 158) with videos related to

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Molecular Informatics|April 11, 2019
Classification of Metal Binders by Naïve Bayes Classifier on the Base of Molecular Fragment Descriptors and Ensemble ModelingVitaly Solov'ev, Aslan Tsivadze, 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.
Molecular Informatics|March 18, 2025
CoLiNN: A Tool for Fast Chemical Space Visualization of Combinatorial Libraries Without EnumerationRegina Pikalyova, Tagir Akhmetshin, Dragos Horvath, et al.
Molecular 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.
Computational and Structural Biotechnology Journal|September 12, 2014
Simple Ligand-Receptor Interaction Descriptor (SILIRID) for alignment-free binding site comparisonVladimir Chupakhin, Gilles Marcou, Helena Gaspar, et al.
Journal of Medicinal Chemistry|July 14, 2025
What Works, What Doesn't, and Why? An Industrial Perspective on Absorption ModelingPierre Llompart, Claire Minoletti, Gilles Marcou, et al.
Journal of Computer-Aided Molecular Design|October 8, 2017
From bird's eye views to molecular communities: two-layered visualization of structure-activity relationships in large compound data setsShilva Kayastha, Ryo Kunimoto, Dragos Horvath, et al.
Molecular Informatics|August 9, 2024
Chemography-guided analysis of a reaction path network for ethylene hydrogenation with a model Wilkinson's catalystPhilippe Gantzer, Ruben Staub, Yu Harabuchi, et al.
Journal of Chemical Information and Modeling|August 21, 2023
Meta-GTM: Visualization and Analysis of the Chemical Library SpaceRegina Pikalyova, Yuliana Zabolotna, Dragos Horvath, et al.
Pageof 16

Showing results (21-30 of 158) with videos related to

Sort By:
Pageof 16
Molecular Informatics|April 11, 2019
Classification of Metal Binders by Naïve Bayes Classifier on the Base of Molecular Fragment Descriptors and Ensemble ModelingVitaly Solov'ev, Aslan Tsivadze, 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.
Molecular Informatics|March 18, 2025
CoLiNN: A Tool for Fast Chemical Space Visualization of Combinatorial Libraries Without EnumerationRegina Pikalyova, Tagir Akhmetshin, Dragos Horvath, et al.
Molecular 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.
Computational and Structural Biotechnology Journal|September 12, 2014
Simple Ligand-Receptor Interaction Descriptor (SILIRID) for alignment-free binding site comparisonVladimir Chupakhin, Gilles Marcou, Helena Gaspar, et al.
Journal of Medicinal Chemistry|July 14, 2025
What Works, What Doesn't, and Why? An Industrial Perspective on Absorption ModelingPierre Llompart, Claire Minoletti, Gilles Marcou, et al.
Journal of Computer-Aided Molecular Design|October 8, 2017
From bird's eye views to molecular communities: two-layered visualization of structure-activity relationships in large compound data setsShilva Kayastha, Ryo Kunimoto, Dragos Horvath, et al.
Molecular Informatics|August 9, 2024
Chemography-guided analysis of a reaction path network for ethylene hydrogenation with a model Wilkinson's catalystPhilippe Gantzer, Ruben Staub, Yu Harabuchi, et al.
Journal of Chemical Information and Modeling|August 21, 2023
Meta-GTM: Visualization and Analysis of the Chemical Library SpaceRegina Pikalyova, Yuliana Zabolotna, Dragos Horvath, et al.
Pageof 16