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Patronov, Atanas
46
results:
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Online (46)
Mediatypes
Articles (Online) (18)
Bookchapter (Online) (2)
OpenAccess-fulltext (26)
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?
1
Link-INVENT: generative linker design with reinforcement le..:
Guo, Jeff
;
Knuth, Franziska
;
Margreitter, Christian
...
Digital Discovery. 2 (2023) 2 - p. 392-408 , 2023
Link:
https://doi.org/10.1039/..
?
2
Transformer-based molecular optimization beyond matched mol..:
He, Jiazhen
;
Nittinger, Eva
;
Tyrchan, Christian
...
Journal of Cheminformatics. 14 (2022) 1 - p. , 2022
Link:
https://doi.org/10.1186/..
?
3
Human-in-the-loop assisted de novo molecular design:
Sundin, Iiris
;
Voronov, Alexey
;
Xiao, Haoping
...
Journal of Cheminformatics. 14 (2022) 1 - p. , 2022
Link:
https://doi.org/10.1186/..
?
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/..
?
5
Improving de novo molecular design with curriculum learning:
Guo, Jeff
;
Fialková, Vendy
;
Arango, Juan Diego
...
Nature Machine Intelligence. 4 (2022) 6 - p. 555-563 , 2022
Link:
https://doi.org/10.1038/..
?
6
Author Correction: Improving de novo molecular design with ..:
Guo, Jeff
;
Fialková, Vendy
;
Arango, Juan Diego
...
Nature Machine Intelligence. 4 (2022) 8 - p. 731-731 , 2022
Link:
https://doi.org/10.1038/..
?
7
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/..
?
8
Structure-Aware Multimodal Deep Learning for Drug–Protein I..:
Wang, Penglei
;
Zheng, Shuangjia
;
Jiang, Yize
...
Journal of Chemical Information and Modeling. 62 (2022) 5 - p. 1308-1317 , 2022
Link:
https://doi.org/10.1021/..
?
9
DockStream: a docking wrapper to enhance de novo molecular ..:
Guo, Jeff
;
Janet, Jon Paul
;
Bauer, Matthias R.
...
Journal of Cheminformatics. 13 (2021) 1 - p. , 2021
Link:
https://doi.org/10.1186/..
?
10
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/..
?
11
Erratum to "De novo design with deep generative models base..:
Papadopoulos, Kostas
;
Giblin, Kathryn A.
;
Janet, Jon Paul
..
Bioorganic & Medicinal Chemistry. 46 (2021) - p. 116374 , 2021
Link:
https://doi.org/10.1016/..
?
12
De novo design with deep generative models based on 3D simi..:
Papadopoulos, Kostas
;
Giblin, Kathryn A.
;
Janet, Jon Paul
..
Bioorganic & Medicinal Chemistry. 44 (2021) - p. 116308 , 2021
Link:
https://doi.org/10.1016/..
?
13
SMILES-based deep generative scaffold decorator for de-novo..:
Arús-Pous, Josep
;
Patronov, Atanas
;
Bjerrum, Esben Jannik
...
Journal of Cheminformatics. 12 (2020) 1 - p. , 2020
Link:
https://doi.org/10.1186/..
?
14
REINVENT 2.0: An AI Tool for De Novo Drug Design:
Blaschke, Thomas
;
Arús-Pous, Josep
;
Chen, Hongming
...
Journal of Chemical Information and Modeling. 60 (2020) 12 - p. 5918-5922 , 2020
Link:
https://doi.org/10.1021/..
?
15
A combined in silico and in vitro study on mouse Serpina1a ..:
Eggenschwiler, Reto
;
Patronov, Atanas
;
Hegermann, Jan
...
Scientific Reports. 9 (2019) 1 - p. , 2019
Link:
https://doi.org/10.1038/..
1-15