E-LIB Suche - Ergebnisse für: Toniato, Alessandra

1

Standardizing chemical compounds with language models:

Cretu, Miruna T ; Toniato, Alessandra ; Thakkar, Amol...
Machine Learning: Science and Technology. 4 (2023) 3 - p. 035014 , 2023

Link: https://doi.org/10.1088/..

2

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/..

3

Unbiasing Retrosynthesis Language Models with Disconnection..:

Thakkar, Amol ; Vaucher, Alain C. ; Byekwaso, Andrea...
ACS Central Science. 9 (2023) 7 - p. 1488-1498 , 2023

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

4

Fast Customization of Chemical Language Models to Out-of-Di..:

Toniato, Alessandra ; Vaucher, Alain C. ; Lehmann, Marzena Maria...
Chemistry of Materials. 35 (2023) 21 - p. 8806-8815 , 2023

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

5

The Role of AIin Driving the Sustainability of the Chemical..:

Toniato, Alessandra ; Schilter, Oliver ; Laino, Teodoro
CHIMIA. 77 (2023) 3 - p. 144 , 2023

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

6

Enhancing diversity in language based models for single-ste..:

Toniato, Alessandra ; Vaucher, Alain C. ; Schwaller, Philippe.
Digital Discovery. 2 (2023) 2 - p. 489-501 , 2023

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

7

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/..

8

Grand challenges on accelerating discovery in catalysis:

Toniato, Alessandra ; Vaucher, Alain C. ; Laino, Teodoro
Catalysis Today. 387 (2022) - p. 140-142 , 2022

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

9

Unassisted noise reduction of chemical reaction datasets:

Toniato, Alessandra ; Schwaller, Philippe ; Cardinale, Antonio..
Nature Machine Intelligence. 3 (2021) 6 - p. 485-494 , 2021

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

10

Fuelling the Digital Chemistry Revolution with Language Mod..:

Cardinale, Antonio ; Castrogiovanni, Alessandro ; Gaudin, Theophile...
https://www.chimia.ch/chimia/article/view/2023_484/6258. , 2023

Link: https://www.chimia.ch/ch..

11

Unbiasing Retrosynthesis Language Models with Disconnection..:

Thakkar, Amol ; Vaucher, Alain C ; Byekwaso, Andrea...
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10390024/. , 2023

Link: http://www.ncbi.nlm.nih...

12

Enhancing diversity in language based models for single-ste..:

Toniato, Alessandra ; Vaucher, Alain C ; Schwaller, Philippe.
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10087060/. , 2023

Link: http://www.ncbi.nlm.nih...

13

The Role of AI in Driving the Sustainability of the Chemica..:

Toniato, Alessandra ; Schilter, Oliver ; Laino, Teodoro
info:eu-repo/semantics/altIdentifier/doi/10.2533/chimia.2023.144. , 2023

Link: https://hdl.handle.net/2..

14

Supporting Information for the Journal Article "Quantum Che..:

Toniato, Alessandra ; Unsleber, Jan P ; Vaucher, Alain C...
info:eu-repo/grantAgreement/SNSF/Programmes - National Centres of Competence in Research (NCCRs)/51NF40_180544/. , 2023

Link: https://zenodo.org/recor..

15

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

Toniato, Alessandra ; Unsleber, Jan P ; Vaucher, Alain C...
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10259370/. , 2023

Link: http://www.ncbi.nlm.nih...