E-LIB Suche - Ergebnisse für: Kogej, Thierry

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

2

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/..

3

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/..

4

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/..

5

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/..

6

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/..

7

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/..

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/..

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/..

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/..

11

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/..

12

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/..

13

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/..

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/..

15

Shared Consensus Machine Learning Models for Predicting Blo..:

Verras, Andreas ; Waller, Chris L. ; Gedeck, Peter...
Journal of Chemical Information and Modeling. 57 (2017) 3 - p. 445-453 , 2017

Link: https://doi.org/10.1021/..