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Laino, Teodoro
168  results:
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1

Combining Bayesian optimization and automation to simultane..:

Schilter, Oliver ; Gutierrez, Daniel Pacheco ; Folkmann, Linnea M....
Chemical Science.  15 (2024)  20 - p. 7732-7741 , 2024
Link: https://doi.org/10.1039/..
 
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2

Balancing computational chemistry's potential with its envi..:

Schilter, Oliver ; Schwaller, Philippe ; Laino, Teodoro
Green Chemistry.  , 2024
Link: https://doi.org/10.1039/..
 
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3

CMD + V for chemistry: Image to chemical structure conversi..:

Schilter, Oliver Tobias ; Laino, Teodoro ; Schwaller, Philippe
Applied AI Letters.  5 (2024)  1 - p. , 2024
Link: https://doi.org/10.1002/..
 
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4

Growing strings in a chemical reaction space for searching ..:

Zipoli, Federico ; Baldassari, Carlo ; Manica, Matteo..
npj Computational Materials.  10 (2024)  1 - p. , 2024
Link: https://doi.org/10.1038/..
 
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5

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/..
 
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6

Predicting polymerization reactions via transfer learning u..:

Ferrari, Brenda S. ; Manica, Matteo ; Giro, Ronaldo..
npj Computational Materials.  10 (2024)  1 - p. , 2024
Link: https://doi.org/10.1038/..
 
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7

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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8

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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9

Tools for Synthesis Planning, Automation, and Analytical Da..:

Cretu, Miruna ; Alberts, Marvin ; Chakraborty, Anubhab...
CHIMIA.  77 (2023)  1/2 - p. 17 , 2023
Link: https://doi.org/10.2533/..
 
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10

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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11

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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12

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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13

Designing catalysts with deep generative models and computa..:

Schilter, Oliver ; Vaucher, Alain ; Schwaller, Philippe.
Digital Discovery.  2 (2023)  3 - p. 728-735 , 2023
Link: https://doi.org/10.1039/..
 
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14

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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15

The rise of automated curiosity-driven discoveries in chemi..:

Bustillo, Latimah ; Laino, Teodoro ; Rodrigues, Tiago
Chemical Science.  14 (2023)  38 - p. 10378-10384 , 2023
Link: https://doi.org/10.1039/..
 
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