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Marcou, Gilles
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1

Kinetic solubility: Experimental and machine‐learning model..:

Baybekov, Shamkhal ; Llompart, Pierre ; Marcou, Gilles...
Molecular Informatics.  43 (2024)  2 - p. , 2024
Link: https://doi.org/10.1002/..
 
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2

Implementation of a soft grading system for chemistry in a ..:

Plyer, Louis ; Marcou, Gilles ; Perves, Céline..
Journal of Cheminformatics.  16 (2024)  1 - p. , 2024
Link: https://doi.org/10.1186/..
 
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3

Predicting S. aureus antimicrobial resistance with interpre..:

Pikalyova, Karina ; Orlov, Alexey ; Horvath, Dragos..
Molecular Informatics.  43 (2024)  5 - p. , 2024
Link: https://doi.org/10.1002/..
 
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4

An update of skin permeability data based on a systematic r..:

Chedik, Lisa ; Baybekov, Shamkhal ; Cosnier, Frédéric...
Scientific Data.  11 (2024)  1 - p. , 2024
Link: https://doi.org/10.1038/..
 
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5

Benchmarking of BMDC assay and related QSAR study for ident..:

Chedik, Lisa ; Baybekov, Shamkhal ; Marcou, Gilles...
Regulatory Toxicology and Pharmacology.  149 (2024)  - p. 105623 , 2024
Link: https://doi.org/10.1016/..
 
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6

An affordable, programmable and interactive continuous flow..:

Domański, Michał ; Marcou, Gilles ; Barham, Joshua P.
Journal of Flow Chemistry.  14 (2024)  1 - p. 349-355 , 2024
Link: https://doi.org/10.1007/..
 
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7

Meta-GTM: Visualization and Analysis of the Chemical Librar..:

Pikalyova, Regina ; Zabolotna, Yuliana ; Horvath, Dragos..
Journal of Chemical Information and Modeling.  63 (2023)  17 - p. 5571-5582 , 2023
Link: https://doi.org/10.1021/..
 
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8

French dispatch: GTM‐based analysis of the Chimiothèque Nat..:

Oleneva, Polina ; Zabolotna, Yuliana ; Horvath, Dragos...
Molecular Informatics.  42 (2023)  4 - p. , 2023
Link: https://doi.org/10.1002/..
 
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9

Chemical Library Space: Definition and DNA-Encoded Library ..:

Pikalyova, Regina ; Zabolotna, Yuliana ; Horvath, Dragos..
Journal of Chemical Information and Modeling.  63 (2023)  13 - p. 4042-4055 , 2023
Link: https://doi.org/10.1021/..
 
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10

GENERA: A Combined Genetic/Deep-Learning Algorithm for Mult..:

Lamanna, Giuseppe ; Delre, Pietro ; Marcou, Gilles...
Journal of Chemical Information and Modeling.  63 (2023)  16 - p. 5107-5119 , 2023
Link: https://doi.org/10.1021/..
 
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11

Implementation of a soft grading system for chemistry in a ..:

Plyer, Louis ; Marcou, Gilles ; Perves, Céline..
Journal of Cheminformatics.  14 (2022)  1 - p. , 2022
Link: https://doi.org/10.1186/..
 
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12

Comprehensive analysis of commercial fragment libraries:

Revillo Imbernon, Julia ; Jacquemard, Célien ; Bret, Guillaume..
RSC Medicinal Chemistry.  13 (2022)  3 - p. 300-310 , 2022
Link: https://doi.org/10.1039/..
 
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13

In Vitro Evaluation of In Silico Screening Approaches in Se..:

Rayevsky, Alexey V. ; Poturai, Andrii S. ; Kravets, Iryna O....
Molecules.  27 (2022)  17 - p. 5400 , 2022
Link: https://doi.org/10.3390/..
 
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14

Molecular Similarity Perception Based on Machine-Learning M..:

Gandini, Enrico ; Marcou, Gilles ; Bonachera, Fanny...
International Journal of Molecular Sciences.  23 (2022)  11 - p. 6114 , 2022
Link: https://doi.org/10.3390/..
 
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15

Chemspace Atlas: Multiscale Chemography of Ultralarge Libra..:

Zabolotna, Yuliana ; Bonachera, Fanny ; Horvath, Dragos...
Journal of Chemical Information and Modeling.  62 (2022)  18 - p. 4537-4548 , 2022
Link: https://doi.org/10.1021/..
 
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