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Alessandra Toniato
33  results:
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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/..
 
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2

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/..
 
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3

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/..
 
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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/..
 
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5

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/..
 
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6

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/..
 
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7

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/..
 
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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/..
 
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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/..
 
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10

Standardizing chemical compounds with language models:

Miruna T Cretu ; Alessandra Toniato ; Amol Thakkar...
https://doi.org/10.1088/2632-2153/ace878.  , 2023
Link: https://doi.org/10.1088/..
 
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11

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

Alessandra Toniato ; Oliver Schilter ; Teodoro Laino
https://chimia.ch/chimia/article/view/6265.  , 2023
Link: https://doi.org/10.2533/..
 
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12

PubChem compounds before and after standardization:

Miruna T. Cretu ; Alessandra Toniato ; Amol Thakkar...
doi:10.26434/chemrxiv-2022-14ztf-v2.  , 2023
Link: https://zenodo.org/recor..
 
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13

Fuelling the Digital Chemistry Revolution with Language Mod..:

Antonio Cardinale ; Alessandro Castrogiovanni ; Theophile Gaudin...
https://www.chimia.ch/chimia/article/view/7032.  , 2023
Link: https://doi.org/10.2533/..
 
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14

POCSTagger: Identifying part-of-chemical-speech with transf..:

Alessandra Toniato
doi:10.5281/zenodo.5242941.  , 2021
Link: https://zenodo.org/recor..
 
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15

Source Data:

Alessandra Toniato (10058518)
https://figshare.com/articles/journal_contribution/Source_Data/13674496.  , 2021
Link: https://doi.org/10.6084/..
 
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