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Vaucher, Alain C
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1

Completion of partial chemical equations:

Zipoli, Federico ; Ayadi, Zeineb ; Schwaller, Philippe..
Machine Learning: Science and Technology.  5 (2024)  2 - p. 025071 , 2024
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

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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4

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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5

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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6

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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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

Machine intelligence for chemical reaction space:

Schwaller, Philippe ; Vaucher, Alain C. ; Laplaza, Ruben...
WIREs Computational Molecular Science.  12 (2022)  5 - p. , 2022
Link: https://doi.org/10.1002/..
 
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10

Cover Image, Volume 12, Issue 5:

Schwaller, Philippe ; Vaucher, Alain C. ; Laplaza, Ruben...
WIREs Computational Molecular Science.  12 (2022)  5 - p. , 2022
Link: https://doi.org/10.1002/..
 
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11

Prediction of chemical reaction yields using deep learning:

Schwaller, Philippe ; Vaucher, Alain C ; Laino, Teodoro.
Machine Learning: Science and Technology.  2 (2021)  1 - p. 015016 , 2021
Link: https://doi.org/10.1088/..
 
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12

Inferring experimental procedures from text-based represent..:

Vaucher, Alain C. ; Schwaller, Philippe ; Geluykens, Joppe...
Nature Communications.  12 (2021)  1 - p. , 2021
Link: https://doi.org/10.1038/..
 
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13

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/..
 
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14

Automated extraction of chemical synthesis actions from exp..:

Vaucher, Alain C. ; Zipoli, Federico ; Geluykens, Joppe...
Nature Communications.  11 (2020)  1 - p. , 2020
Link: https://doi.org/10.1038/..
 
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15

GuacaMol: Benchmarking Models for de Novo Molecular Design:

Brown, Nathan ; Fiscato, Marco ; Segler, Marwin H.S..
Journal of Chemical Information and Modeling.  59 (2019)  3 - p. 1096-1108 , 2019
Link: https://doi.org/10.1021/..
 
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