E-LIB Suche - Ergebnisse für: Probst, Daniel

1

Molecular set representation learning:

Boulougouri, Maria ; Vandergheynst, Pierre ; Probst, Daniel
Nature Machine Intelligence. 6 (2024) 7 - p. 754-763 , 2024

2

Language models can identify enzymatic binding sites in pro..:

Nana Teukam, Yves Gaetan ; Kwate Dassi, Loïc ; Manica, Matteo...
Computational and Structural Biotechnology Journal. 23 (2024) - p. 1929-1937 , 2024

Link: https://doi.org/10.1016/..

3

Fuelling the Digital Chemistry Revolution with Language Mod..:

Cardinale, Antonio ; Castrogiovanni, Alessandro ; Gaudin, Theophile...
CHIMIA. 77 (2023) 7/8 - p. 484 , 2023

Link: https://doi.org/10.2533/..

4

Alchemical analysis of FDA approved drugs:

Orsi, Markus ; Probst, Daniel ; Schwaller, Philippe.
Digital Discovery. 2 (2023) 5 - p. 1289-1296 , 2023

Link: https://doi.org/10.1039/..

5

Aiming beyond slight increases in accuracy:

Probst, Daniel
Nature Reviews Chemistry. 7 (2023) 4 - p. 227-228 , 2023

Link: https://doi.org/10.1038/..

6

EnzymeMap: curation, validation and data-driven prediction ..:

Heid, Esther ; Probst, Daniel ; Green, William H..
Chemical Science. 14 (2023) 48 - p. 14229-14242 , 2023

Link: https://doi.org/10.1039/..

7

The Societal and Scientific Importance of Inclusivity, Dive..:

Probst, Daniel
CHIMIA. 77 (2023) 1/2 - p. 56 , 2023

Link: https://doi.org/10.2533/..

8

An explainability framework for deep learning on chemical r..:

Probst, Daniel
Journal of Cheminformatics. 15 (2023) 1 - p. , 2023

Link: https://doi.org/10.1186/..

9

Quantum chemical data generation as fill-in for reliability..:

Toniato, Alessandra ; Unsleber, Jan P. ; Vaucher, Alain C....
Digital Discovery. 2 (2023) 3 - p. 663-673 , 2023

Link: https://doi.org/10.1039/..

10

Biocatalysed synthesis planning using data-driven learning:

Probst, Daniel ; Manica, Matteo ; Nana Teukam, Yves Gaetan...
Nature Communications. 13 (2022) 1 - p. , 2022

Link: https://doi.org/10.1038/..

11

Supplemental Material for Virtual work communication during..:

Ulfert, Anna-Sophie ; Probst, Daniel ; Scherer, Sonja
Technology, Mind, and Behavior. 3 (2022) 2 - p. , 2022

Link: https://doi.org/10.1037/..

12

Reaction classification and yield prediction using the diff..:

Probst, Daniel ; Schwaller, Philippe ; Reymond, Jean-Louis
Digital Discovery. 1 (2022) 2 - p. 91-97 , 2022

Link: https://doi.org/10.1039/..

13

Virtual work communication during a pandemic—The moderating..:

Ulfert, Anna-Sophie ; Probst, Daniel ; Scherer, Sonja
Technology, Mind, and Behavior. 3 (2022) 2 - p. , 2022

Link: https://doi.org/10.1037/..

14

Enabling Powertrain Technologies for Euro 7/VII Vehicles wi..:

Wijeyakulasuriya, Sameera ; Kim, Joohan ; Probst, Daniel...
Transportation Engineering. 9 (2022) - p. 100127 , 2022

Link: https://doi.org/10.1016/..

15

Mapping the space of chemical reactions using attention-bas..:

Schwaller, Philippe ; Probst, Daniel ; Vaucher, Alain C....
Nature Machine Intelligence. 3 (2021) 2 - p. 144-152 , 2021

Link: https://doi.org/10.1038/..