Gilles Marcou (Marcou Gilles, G Marcou)

ResearcherID Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 44

Top Venues

Journal of chemical information and modeling

Molecular informatics

Scientific data

SAR and QSAR in environmental research

University of Strasbourg

This page only lists publications with an associated author ORCID identifier.

Affiliation History

University of Strasbourg Sep 01 2006

France

Assistant Professor :: Faculty of Chemistry

Publications

P Llompart, C Minoletti, S Baybekov, D Horvath, Gilles Marcou, Alexander Varnek
Will we ever be able to accurately predict solubility? Scientific data 11 (1) (2024)
Lisa Chedik, Shamkhal Baybekov, Frédéric Cosnier, Gilles Marcou, Alexander Varnek, Catherine Champmartin
An update of skin permeability data based on a systematic review of recent research. Scientific data 11 (1) (2024)
P Llompart, C Minoletti, S Baybekov, D Horvath, Gilles Marcou, Alexander Varnek
Will we ever be able to accurately predict solubility? Scientific data 11 (1) (2024)
Shamkhal Baybekov, Pierre Llompart, Gilles Marcou, Patrick Gizzi, Jean-Luc Galzi, Pascal Ramos, Olivier Saurel, Claire Bourban, Claire Minoletti, Alexander Varnek
Kinetic solubility: Experimental and machine-learning modeling perspectives. Molecular informatics 43 (2) (2024)
Karina Pikalyova, Alexey A Orlov, Dragos Horvath, Gilles Marcou, Alexander Varnek
Predicting S. aureus antimicrobial resistance with interpretable genomic space maps. Molecular informatics (2024)
Louis Plyer, Gilles Marcou, Céline Perves, Fanny Bonachera, Alexander Varnek
Implementation of a soft grading system for chemistry in a Moodle plugin: reaction handling. Journal of cheminformatics 16 (1) (2024)
Lisa Chedik, Shamkhal Baybekov, Frédéric Cosnier, Gilles Marcou, Alexander Varnek, Catherine Champmartin
An update of skin permeability data based on a systematic review of recent research. Scientific data 11 (1) (2024)
Shamkhal Baybekov, Pierre Llompart, Gilles Marcou, Patrick Gizzi, Jean-Luc Galzi, Pascal Ramos, Olivier Saurel, Claire Bourban, Claire Minoletti, Alexander Varnek
Kinetic solubility: Experimental and machine-learning modeling perspectives. Molecular informatics 43 (2) (2024)
P Llompart, C Minoletti, S Baybekov, D Horvath, Gilles Marcou, Alexander Varnek
Will we ever be able to accurately predict solubility? Scientific data 11 (1) (2024)
Karina Pikalyova, Alexey A Orlov, Dragos Horvath, Gilles Marcou, Alexander Varnek
Predicting S. aureus antimicrobial resistance with interpretable genomic space maps. Molecular informatics 43 (5) (2024)
Louis Plyer, Gilles Marcou, Céline Perves, Fanny Bonachera, Alexander Varnek
Implementation of a soft grading system for chemistry in a Moodle plugin: reaction handling. Journal of cheminformatics 16 (1) (2024)
P Llompart, C Minoletti, S Baybekov, D Horvath, Gilles Marcou, Alexander Varnek
Will we ever be able to accurately predict solubility? Scientific data 11 (1) (2024)
Lisa Chedik, Shamkhal Baybekov, Frédéric Cosnier, Gilles Marcou, Alexander Varnek, Catherine Champmartin
An update of skin permeability data based on a systematic review of recent research. Scientific data 11 (1) (2024)
Louis Plyer, Gilles Marcou, Céline Perves, Fanny Bonachera, Alexander Varnek
Implementation of a soft grading system for chemistry in a Moodle plugin: reaction handling. Journal of cheminformatics 16 (1) (2024)
Lisa Chedik, Shamkhal Baybekov, Frédéric Cosnier, Gilles Marcou, Alexander Varnek, Catherine Champmartin
An update of skin permeability data based on a systematic review of recent research. Scientific data 11 (1) (2024)
Mykola V Protopopov, Valentyna V Tararina, Fanny Bonachera, Igor M Dzyuba, Anna Kapeliukha, Serhii Hlotov, Oleksii Chuk, Gilles Marcou, Olga Klimchuk, Dragos Horvath, Erik Yeghyan, Olena Savych, Olga O Tarkhanova, Alexander Varnek, Yurii S Moroz
The freedom space - a new set of commercially available molecules for hit discovery. Molecular informatics (2024)
Shamkhal Baybekov, Pierre Llompart, Gilles Marcou, Patrick Gizzi, Jean-Luc Galzi, Pascal Ramos, Olivier Saurel, Claire Bourban, Claire Minoletti, Alexander Varnek
Kinetic solubility: Experimental and machine-learning modeling perspectives. Molecular informatics (2023)
Giuseppe Lamanna, Pietro Delre, Gilles Marcou, Alessandro Tossi, Alexander Varnek, Dragos Horvath, Giuseppe Felice Mangiatordi
GENERA: A Combined Genetic/Deep-Learning Algorithm for Multiobjective Target-Oriented De Novo Design. Journal of chemical information and modeling (2023)
Regina Pikalyova, Yuliana Zabolotna, Dragos Horvath, Gilles Marcou, Alexander Varnek
Meta-GTM: Visualization and Analysis of the Chemical Library Space. Journal of chemical information and modeling (2023)
Regina Pikalyova, Yuliana Zabolotna, Dragos Horvath, Gilles Marcou, Alexander Varnek
Chemical Library Space: Definition and DNA-Encoded Library Comparison Study Case. Journal of chemical information and modeling (2023)
William Bort, Daniyar Mazitov, Dragos Horvath, Fanny Bonachera, Arkadii Lin, Gilles Marcou, Igor Baskin, Timur I Madzhidov, Alexander Varnek
Inverse QSAR: Reversing Descriptor-Driven Prediction Pipeline Using Attention-Based Conditional Variational Autoencoder. Journal of chemical information and modeling 62 (22) (2022)
Youssef El Khoury, Marie Gebelin, Jérôme de Sèze, Christine Patte-Mensah, Gilles Marcou, Alexander Varnek, Ayikoé-Guy Mensah-Nyagan, Petra Hellwig, Nicolas Collongues
Rapid Discrimination of Neuromyelitis Optica Spectrum Disorder and Multiple Sclerosis Using Machine Learning on Infrared Spectra of Sera. International journal of molecular sciences 23 (5) (2022)
Yuliana Zabolotna, Fanny Bonachera, Dragos Horvath, Arkadii Lin, Gilles Marcou, Olga Klimchuk, Alexander Varnek
Chemspace Atlas: Multiscale Chemography of Ultralarge Libraries for Drug Discovery. Journal of chemical information and modeling 62 (18) (2022)
Alexey V Rayevsky, Andrii S Poturai, Iryna O Kravets, Alexander E Pashenko, Tatiana A Borisova, Ganna M Tolstanova, Dmitriy M Volochnyuk, Petro O Borysko, Olga B Vadzyuk, Diana O Alieksieieva, Yuliana Zabolotna, Olga Klimchuk, Dragos Horvath, Gilles Marcou, Sergey V Ryabukhin, Alexander Varnek
In Vitro Evaluation of In Silico Screening Approaches in Search for Selective ACE2 Binding Chemical Probes. Molecules (Basel, Switzerland) 27 (17) (2022)
Iuri Casciuc, Artem Osypenko, Bohdan Kozibroda, Dragos Horvath, Gilles Marcou, Fanny Bonachera, Alexander Varnek, Jean-Marie Lehn
Toward in Silico Modeling of Dynamic Combinatorial Libraries. ACS central science 8 (6) (2022)
Enrico Gandini, Gilles Marcou, Fanny Bonachera, Alexander Varnek, Stefano Pieraccini, Maurizio Sironi
Molecular Similarity Perception Based on Machine-Learning Models. International journal of molecular sciences 23 (11) (2022)
Alexey A Orlov, Daryna Yu Demenko, Charles Bignaud, Alain Valtz, Gilles Marcou, Dragos Horvath, Christophe Coquelet, Alexander Varnek, Frédérick de Meyer
Chemoinformatics-Driven Design of New Physical Solvents for Selective CO2 Absorption. Environmental science & technology 55 (22) (2021)
Yuliana Zabolotna, Dmitriy M Volochnyuk, Sergey V Ryabukhin, Dragos Horvath, Konstantin S Gavrilenko, Gilles Marcou, Yurii S Moroz, Oleksandr Oksiuta, Alexander Varnek
A Close-up Look at the Chemical Space of Commercially Available Building Blocks for Medicinal Chemistry. Journal of chemical information and modeling 62 (9) (2021)
Julia Revillo Imbernon, Célien Jacquemard, Guillaume Bret, Gilles Marcou, Esther Kellenberger
Comprehensive analysis of commercial fragment libraries. RSC medicinal chemistry 13 (3) (2021)
Yuliana Zabolotna, Dmitriy M Volochnyuk, Sergey V Ryabukhin, Kostiantyn Gavrylenko, Dragos Horvath, Olga Klimchuk, Oleksandr Oksiuta, Gilles Marcou, Alexander Varnek
SynthI: A New Open-Source Tool for Synthon-Based Library Design. Journal of chemical information and modeling (2021)
F Lunghini, Gilles Marcou, P Azam, Fanny Bonachera, Marie-Hélene Enrici, E Van Miert, Alexander Varnek
Endocrine disruption: the noise in available data adversely impacts the models' performance. SAR and QSAR in environmental research 32 (2) (2021)
Yuliana Zabolotna, Arkadii Lin, Dragos Horvath, Gilles Marcou, Dmitriy M Volochnyuk, Alexander Varnek
Chemography: Searching for Hidden Treasures. Journal of chemical information and modeling 61 (1) (2020)
F Lunghini, Gilles Marcou, P Azam, Marie-Hélene Enrici, E Van Miert, Alexander Varnek
Consensus QSAR models estimating acute toxicity to aquatic organisms from different trophic levels: algae, Daphnia and fish. SAR and QSAR in environmental research 31 (9) (2020)
Dragos Horvath, Gilles Marcou, Alexander Varnek
Trustworthiness, the Key to Grid-Based Map-Driven Predictive Model Enhancement and Applicability Domain Control. Journal of chemical information and modeling 60 (12) (2020)
Igor I Baskin, S Lozano, M Durot, Gilles Marcou, Dragos Horvath, Alexander Varnek
Autoignition temperature: comprehensive data analysis and predictive models. SAR and QSAR in environmental research 31 (8) (2020)
Filippo Lunghini, Gilles Marcou, Philippe Azam, Marie-Hélène Enrici, Erik Van Miert, Alexandre Varnek
Visualization and Analysis of the REACH-chemical Space with Generative Topographic Mapping. Molecular informatics 40 (4) (2020)
F Lunghini, Gilles Marcou, P Azam, Marie-Hélene Enrici, E Van Miert, Alexander Varnek
Publicly available QSPR models for environmental media persistence. SAR and QSAR in environmental research 31 (7) (2020)
Youssef El Khoury, Nicolas Collongues, Jérôme De Sèze, Vildan Gulsari, Christine Patte-Mensah, Gilles Marcou, Alexander Varnek, Ayikoé-Guy Mensah-Nyagan, Petra Hellwig
Serum-based differentiation between multiple sclerosis and amyotrophic lateral sclerosis by Random Forest classification of FTIR spectra. The Analyst 144 (15) (2019)
F Lunghini, Gilles Marcou, Philippe Gantzer, P Azam, Dragos Horvath, E Van Miert, Alexander Varnek
Modelling of ready biodegradability based on combined public and industrial data sources. SAR and QSAR in environmental research 31 (3) (2019)
F Lunghini, Gilles Marcou, P Azam, Dragos Horvath, R Patoux, E Van Miert, A Varnek
Consensus models to predict oral rat acute toxicity and validation on a dataset coming from the industrial context. SAR and QSAR in environmental research 30 (12) (2019)
Gilles Marcou, B Flamme, G Beck, A Chagnes, O Mokshyna, D Horvath, A Varnek
In silico Design, Virtual Screening and Synthesis of Novel Electrolytic Solvents. Molecular informatics 38 (10) (2019)
F Lunghini, Gilles Marcou, P Azam, R Patoux, M H Enrici, F Bonachera, D Horvath, A Varnek
QSPR models for bioconcentration factor (BCF): are they able to predict data of industrial interest? SAR and QSAR in environmental research 30 (7) (2019)
Gilles Marcou, Grace Delouis, Olena Mokshyna, Dragos Horvath, Nicolas Lachiche, Alexandre Varnek
Transductive Ridge Regression in Structure-activity Modeling. Molecular informatics 37 (1-2) (2017)
Pavel Sidorov, Israel Desta, Matthieu Chessé, Dragos Horvath, Gilles Marcou, Alexander Varnek, Elisabeth Davioud-Charvet, Mourad Elhabiri
Redox Polypharmacology as an Emerging Strategy to Combat Malarial Parasites. ChemMedChem 11 (12) (2016)

Gilles Marcou.css-eqlu8i{font-size:small;padding-left:4px;} (Marcou Gilles, G Marcou)

Publication Activity (10 Years)

Top Topics

Top Venues

Gilles Marcou (Marcou Gilles, G Marcou)