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Kogej, Thierry
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1

Expanding the chemical space using a chemical reaction know..:

Rydholm, Emma ; Bastys, Tomas ; Svensson, Emma...
Digital Discovery.  3 (2024)  7 - p. 1378-1388 , 2024
Link: https://doi.org/10.1039/..
 
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2

On the use of real-world datasets for reaction yield predic..:

Saebi, Mandana ; Nan, Bozhao ; Herr, John E....
Chemical Science.  14 (2023)  19 - p. 4997-5005 , 2023
Link: https://doi.org/10.1039/..
 
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3

Collaborative Virtual Screening Identifies a 2-Aryl-4-amino..:

Tawaraishi, Taisuke ; Ochida, Atsuko ; Akao, Yuichiro...
Journal of Medicinal Chemistry.  66 (2023)  2 - p. 1221-1238 , 2023
Link: https://doi.org/10.1021/..
 
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4

Contributors:

, In: Computational and Data-Driven Chemistry Using Artificial Intelligence,
Akitsu, Takashiro ; Bissadi, Golnaz ; Cauchy, Thomas... - p. ix-x , 2022
Link: https://doi.org/10.1016/..
 
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5

Prediction of the Chemical Context for Buchwald‐Hartwig Cou..:

Genheden, Samuel ; Mårdh, Agnes ; Lahti, Gustav...
Molecular Informatics.  41 (2022)  8 - p. , 2022
Link: https://doi.org/10.1002/..
 
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6

Approaches using AI in medicinal chemistry:

, In: Computational and Data-Driven Chemistry Using Artificial Intelligence,
Tyrchan, Christian ; Nittinger, Eva ; Gogishvili, Dea.. - p. 111-159 , 2022
Link: https://doi.org/10.1016/..
 
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7

Automated stopped-flow library synthesis for rapid optimisa..:

Avila, Claudio ; Cassani, Carlo ; Kogej, Thierry...
Chemical Science.  13 (2022)  41 - p. 12087-12099 , 2022
Link: https://doi.org/10.1039/..
 
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8

Collaborative virtual screening to elaborate an imidazo[1,2..:

Akao, Yuichiro ; Canan, Stacie ; Cao, Yafeng...
RSC Medicinal Chemistry.  12 (2021)  3 - p. 384-393 , 2021
Link: https://doi.org/10.1039/..
 
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9

LibINVENT: Reaction-based Generative Scaffold Decoration fo..:

Fialková, Vendy ; Zhao, Jiaxi ; Papadopoulos, Kostas...
Journal of Chemical Information and Modeling.  62 (2021)  9 - p. 2046-2063 , 2021
Link: https://doi.org/10.1021/..
 
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10

Datasets and their influence on the development of computer..:

Thakkar, Amol ; Kogej, Thierry ; Reymond, Jean-Louis..
Chemical Science.  11 (2020)  1 - p. 154-168 , 2020
Link: https://doi.org/10.1039/..
 
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11

Accurate Hit Estimation for Iterative Screening Using Venn–..:

Buendia, Ruben ; Kogej, Thierry ; Engkvist, Ola...
Journal of Chemical Information and Modeling.  59 (2019)  3 - p. 1230-1237 , 2019
Link: https://doi.org/10.1021/..
 
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12

AI-assisted synthesis prediction:

Johansson, Simon ; Thakkar, Amol ; Kogej, Thierry...
Drug Discovery Today: Technologies.  32-33 (2019)  - p. 65-72 , 2019
Link: https://doi.org/10.1016/..
 
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13

Applications of Deep-Learning in Exploiting Large-Scale and..:

David, Laurianne ; Arús-Pous, Josep ; Karlsson, Johan...
Frontiers in Pharmacology.  10 (2019)  - p. , 2019
Link: https://doi.org/10.3389/..
 
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14

Cheminformatics in Drug Discovery, an Industrial Perspectiv:

Chen, Hongming ; Kogej, Thierry ; Engkvist, Ola
Molecular Informatics.  37 (2018)  9-10 - p. , 2018
Link: https://doi.org/10.1002/..
 
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15

Innovation in Small-Molecule-Druggable Chemical Space: Wher..:

Ashenden, Stephanie K. ; Kogej, Thierry ; Engkvist, Ola.
Journal of Chemical Information and Modeling.  57 (2017)  11 - p. 2741-2753 , 2017
Link: https://doi.org/10.1021/..
 
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