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Molecular Informatics
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April 20, 2017
Generative Topographic Mapping of Conformational Space
Dragos 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 comparison
Vladimir 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 Modeling
Pierre Llompart, Claire Minoletti, Gilles Marcou, et al.
Molecular Informatics
|
April 11, 2019
Classification of Metal Binders by Naïve Bayes Classifier on the Base of Molecular Fragment Descriptors and Ensemble Modeling
Vitaly 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 Set
Kyrylo Klimenko, Gilles Marcou, Dragos Horvath, et al.
Journal of Chemical Information and Modeling
|
August 21, 2023
Meta-GTM: Visualization and Analysis of the Chemical Library Space
Regina Pikalyova, Yuliana Zabolotna, Dragos Horvath, et al.
Journal of Chemical Information and Modeling
|
June 27, 2023
Chemical Library Space: Definition and DNA-Encoded Library Comparison Study Case
Regina Pikalyova, Yuliana Zabolotna, Dragos Horvath, et al.
Journal of Computer-Aided Molecular Design
|
February 15, 2011
Local neighborhood behavior in a combinatorial library context
Dragos Horvath, Christian Koch, Gisbert Schneider, et al.
Journal of Chemical Information and Modeling
|
March 14, 2013
Predicting ligand binding modes from neural networks trained on protein-ligand interaction fingerprints
Vladimir Chupakhin, Gilles Marcou, Igor Baskin, et al.
Journal of Cheminformatics
|
August 1, 2024
Implementation of a soft grading system for chemistry in a Moodle plugin: reaction handling
Louis Plyer, Gilles Marcou, Céline Perves, et al.
Page
of 10
Search research articles
Search
Showing results (11-20 of 94) with videos related to
Sort By:
Page
of 10
Molecular Informatics
|
April 20, 2017
Generative Topographic Mapping of Conformational Space
Dragos 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 comparison
Vladimir 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 Modeling
Pierre Llompart, Claire Minoletti, Gilles Marcou, et al.
Molecular Informatics
|
April 11, 2019
Classification of Metal Binders by Naïve Bayes Classifier on the Base of Molecular Fragment Descriptors and Ensemble Modeling
Vitaly 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 Set
Kyrylo Klimenko, Gilles Marcou, Dragos Horvath, et al.
Journal of Chemical Information and Modeling
|
August 21, 2023
Meta-GTM: Visualization and Analysis of the Chemical Library Space
Regina Pikalyova, Yuliana Zabolotna, Dragos Horvath, et al.
Journal of Chemical Information and Modeling
|
June 27, 2023
Chemical Library Space: Definition and DNA-Encoded Library Comparison Study Case
Regina Pikalyova, Yuliana Zabolotna, Dragos Horvath, et al.
Journal of Computer-Aided Molecular Design
|
February 15, 2011
Local neighborhood behavior in a combinatorial library context
Dragos Horvath, Christian Koch, Gisbert Schneider, et al.
Journal of Chemical Information and Modeling
|
March 14, 2013
Predicting ligand binding modes from neural networks trained on protein-ligand interaction fingerprints
Vladimir Chupakhin, Gilles Marcou, Igor Baskin, et al.
Journal of Cheminformatics
|
August 1, 2024
Implementation of a soft grading system for chemistry in a Moodle plugin: reaction handling
Louis Plyer, Gilles Marcou, Céline Perves, et al.
Page
of 10