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G

Gilles Marcou

university of strasbourg

36H指数
224论文数
5.5K被引数
收录论文 70
发表时间
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Current Insights on Skin Permeability Data and Quantitative Structure-Property Relationship Modeling皮肤渗透性数据与定量构效关系建模的最新见解
errMolecular Informatics
IF3.1
err2026-04-22
err0
PREAI
errFarah Asgarkhanova; Shamkhal Baybekov; Gilles Marcou; Catherine Champmartin; Lisa Chedik; Frédéric Cosnier; Mikhail Volkov; Louis Plyer; Dragos Horvath; Alexandre Varnek
err分享
err收藏
Machine Learning-Based Thermodynamic Modeling of Acid Gas Absorption in Aqueous Methyldiethanolamine and Aqueous Piperazine
errJOURNAL OF PHYSICAL CHEMISTRY B
IF2.9
err2025-12-01
err0
PREAI
errKlimenko, Kyrylo; Afonso, Rui; Stringari, Paolo; Tovar, Karen Gonzalez; Marcou, Gilles; Horvath, Dragos; Cloarec, Eric; Varnek, Alexandre; de Meyer, Frederick
err分享
err收藏
What Works; What Doesn’t; and Why? An Industrial Perspective on Absorption Modeling什么有效；什么无效；以及为什么？工业界对吸收模型的观点
errJournal of Medicinal Chemistry
IF6.8
err2025-07-14
err0
PREAI
errPierre Llompart; Claire Minoletti; Gilles Marcou; Alexandre Varnek
err分享
err收藏
Spherical GTM: A New Proposition for Visualization of Chemical Data球形GTM：一种化学数据可视化的新提议
errMOLECULAR INFORMATICS
IF3.1
err2025-06-01
err0
PREAI
errAsgarkhanova, Farah; Gilles, Marcou; Volkov, Mikhail; Muzard, Murielle; Plantier-Royon, Richard; Remond, Caroline; Horvath, Dragos; Varnek, Alexandre
err分享
err收藏
Assessment of the concomitant action of XBD173 and interferon β in a mouse model of multiple sclerosis using infrared marker bands
errSPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
IF4.6
err2025-02-01
err0
PREAI
errSirinukunwattana, Krongkarn; Klein, Christian; Clarke, Paul F. A.; Marcou, Gilles; Meyer, Laurence; Collongues, Nicolas; de Seze, Jerome; Hellwig, Petra; Patte-Mensah, Christine; El Khoury, Youssef; Mensah-Nyagan, Ayikoe-Guy
err分享
err收藏
Implementation of a soft grading system for chemistry in a Moodle plugin: reaction handling
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2024-08-01
err0
errOAAI
errPlyer, Louis; Marcou, Gilles; Perves, Celine; Bonachera, Fanny; Varnek, Alexander
err分享
err收藏
Benchmarking of BMDC assay and related QSAR study for identifying sensitizing chemicals
errREGULATORY TOXICOLOGY AND PHARMACOLOGY
IF3.5
err2024-05-01
err2
PREAI
errChedik, Lisa; Baybekov, Shamkhal; Marcou, Gilles; Cosnier, Frederic; Mourot-Bousquenaud, Melanie; Jacquenet, Sandrine; Varnek, Alexandre; Battais, Fabrice
err分享
err收藏
Meta-GTM: Visualization and Analysis of the Chemical Library Space
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-08-21
err6
PREAI
errPikalyova, Regina; Zabolotna, Yuliana; Horvath, Dragos; Marcou, Gilles; Varnek, Alexandre
err分享
err收藏
GENERA: A Combined Genetic/Deep-Learning Algorithm for Multiobjective Target-Oriented De Novo Design
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-08-09
err11
errOAAI
errLamanna, Giuseppe; Delre, Pietro; Marcou, Gilles; Saviano, Michele; Varnek, Alexandre; Horvath, Dragos; Mangiatordi, Giuseppe Felice
err分享
err收藏
Chemical Library Space: Definition and DNA-Encoded Library Comparison Study Case
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-06-27
err8
PREAI
errPikalyova, Regina; Zabolotna, Yuliana; Horvath, Dragos; Marcou, Gilles; Varnek, Alexandre
err分享
err收藏
Inverse QSAR: Reversing Descriptor-Driven Prediction Pipeline Using Attention-Based Conditional Variational Autoencoder
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2022-11-04
err4
errOAAI
errBort, William; Mazitov, Daniyar; Horvath, Dragos; Bonachera, Fanny; Lin, Arkadii; Marcou, Gilles; Baskin, Igor; Madzhidov, Timur; Varnek, Alexandre
err分享
err收藏
Implementation of a soft grading system for chemistry in a Moodle plugin
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2022-10-26
err1
errOAAI
errPlyer, Louis; Marcou, Gilles; Perves, Celine; Schurhammer, Rachel; Varnek, Alexandre
err分享
err收藏
Chemspace Atlas: Multiscale Chemography of Ultralarge Libraries for Drug Discovery
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2022-09-14
err10
errOAAI
errZabolotna, Yuliana; Bonachera, Fanny; Horvath, Dragos; Lin, Arkadii; Marcou, Gilles; Klimchuk, Olga; Varnek, Alexandre
err分享
err收藏
In Vitro Evaluation of In Silico Screening Approaches in Search for Selective ACE2 Binding Chemical Probes
errMOLECULES
IF4.6
err2022-08-24
err1
errOAAI
errRayevsky, Alexey, V; Poturai, Andrii S.; Kravets, Iryna O.; Pashenko, Alexander E.; Borisova, Tatiana A.; Tolstanova, Ganna M.; Volochnyuk, Dmitriy M.; Borysko, Petro O.; Vadzyuk, Olga B.; Alieksieieva, Diana O.; Zabolotna, Yuliana; Klimchuk, Olga; Horvath, Dragos; Marcou, Gilles; Ryabukhin, Sergey, V; Varnek, Alexandre
err分享
err收藏
Toward in Silico Modeling of Dynamic Combinatorial Libraries
errACS CENTRAL SCIENCE
IF10.4
err2022-05-27
err4
errOAAI
errCasciuc, Iuri; Osypenko, Artem; Kozibroda, Bohdan; Horvath, Dragos; Marcou, Gilles; Bonachera, Fanny; Varnek, Alexandre; Lehn, Jean-Marie
err分享
err收藏
Computational screening methodology identifies effective solvents for CO2 capture
errCOMMUNICATIONS CHEMISTRY
IF6.2
err2022-03-18
err28
errOAAI
errOrlov, Alexey A.; Valtz, Alain; Coquelet, Christophe; Rozanska, Xavier; Wimmer, Erich; Marcou, Gilles; Horvath, Dragos; Poulain, Benedicte; Varnek, Alexandre; de Meyer, Frederick
err分享
err收藏
Comprehensive analysis of commercial fragment libraries
errRSC MEDICINAL CHEMISTRY
IF3.6
err2022-01-01
err12
errOAAI
errImbernon, Julia Revillo; Jacquemard, Celien; Bret, Guillaume; Marcou, Gilles; Kellenberger, Esther
err分享
err收藏
A Close-up Look at the Chemical Space of Commercially Available Building Blocks for Medicinal Chemistry
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2021-12-20
err55
errOAAI
errZabolotna, Yuliana; Volochnyuk, Dmitriy M.; V. Ryabukhin, Sergey; Horvath, Dragos; Gavrilenko, Konstantin S.; Marcou, Gilles; Moroz, Yurii S.; Oksiuta, Oleksandr; Varnek, Alexandre
err分享
err收藏
Chemoinformatics-Driven Design of New Physical Solvents for Selective CO2 Absorption
errENVIRONMENTAL SCIENCE & TECHNOLOGY
IF11.3
err2021-11-05
err19
errOAAI
errOrlov, Alexey A.; Demenko, Daryna Yu; Bignaud, Charles; Valtz, Alain; Marcou, Gilles; Horvath, Dragos; Coquelet, Christophe; Varnek, Alexandre; de Meyer, Frederick
err分享
err收藏
SynthI: A New Open-Source Tool for Synthon-Based Library Design
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2021-11-01
err15
errOAAI
errZabolotna, Yuliana; Volochnyuk, Dmitriy M.; Ryabukhin, Sergey, V; Gavrylenko, Kostiantyn; Horvath, Dragos; Klimchuk, Olga; Oksiuta, Oleksandr; Marcou, Gilles; Varnek, Alexandre
err分享
err收藏

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