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Laino, Teodoro
109
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Online (109)
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Articles (Online) (70)
OpenAccess-fulltext (38)
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1
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/..
?
2
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/..
?
3
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/..
?
4
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/..
?
5
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/..
?
6
Balancing computational chemistry's potential with its envi..:
Schilter, Oliver
;
Schwaller, Philippe
;
Laino, Teodoro
Green Chemistry. 26 (2024) 15 - p. 8669-8679 , 2024
Link:
https://doi.org/10.1039/..
?
7
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/..
?
8
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/..
?
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
Language models and protocol standardization guidelines for..:
Suvarna, Manu
;
Vaucher, Alain Claude
;
Mitchell, Sharon
..
Nature Communications. 14 (2023) 1 - p. , 2023
Link:
https://doi.org/10.1038/..
?
11
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/..
?
12
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/..
?
13
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/..
?
14
Prediction of Phase Diagrams and Associated Phase Structura..:
Zipoli, Federico
;
Viterbo, Victor
;
Schilter, Oliver
..
Industrial & Engineering Chemistry Research. 61 (2022) 24 - p. 8378-8389 , 2022
Link:
https://doi.org/10.1021/..
?
15
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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