Alessandra Toniato
6PUBLICATIONS
9CO-AUTHORS
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Publications (6)
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|Jun 13, 2025
Negative chemical data boosts language models in reaction outcome prediction.Alessandra Toniato, Alain C Vaucher, Teodoro Laino
|Dec 04, 2023
The Role of AI in Driving the Sustainability of the Chemical Industry.Alessandra Toniato, Oliver Schilter, Teodoro Laino
|Nov 29, 2023
Fast Customization of Chemical Language Models to Out-of-Distribution Data Sets.Alessandra Toniato, Alain C Vaucher, Marzena Maria Lehmann
|Aug 02, 2023
Unbiasing Retrosynthesis Language Models with Disconnection Prompts.Amol Thakkar, Alain C Vaucher, Andrea Byekwaso
|Jun 14, 2023
Quantum chemical data generation as fill-in for reliability enhancement of machine-learning reaction and retrosynthesis planning.Alessandra Toniato, Jan P Unsleber, Alain C Vaucher
|Apr 17, 2023
Enhancing diversity in language based models for single-step retrosynthesis.Alessandra Toniato, Alain C Vaucher, Philippe Schwaller
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Frequent Collaborators
5 joint publications
Alain C Vaucher
5 joint publications
Teodoro Laino
1 joint publications
Jan P Unsleber
1 joint publications
Thomas Weymuth
1 joint publications
Daniel Probst
1 joint publications
Markus Reiher
1 joint publications
Amol Thakkar
1 joint publications
Oliver Schilter
1 joint publications
Mara Graziani
