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Chimia
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December 4, 2023
The Role of AI in Driving the Sustainability of the Chemical Industry
Alessandra Toniato, Oliver Schilter, Teodoro Laino
Digital Discovery
|
April 17, 2023
Enhancing diversity in language based models for single-step retrosynthesis
Alessandra Toniato, Alain C Vaucher, Philippe Schwaller, et al.
Science Advances
|
June 13, 2025
Negative chemical data boosts language models in reaction outcome prediction
Alessandra Toniato, Alain C Vaucher, Teodoro Laino, et al.
ACS Central Science
|
August 2, 2023
Unbiasing Retrosynthesis Language Models with Disconnection Prompts
Amol Thakkar, Alain C Vaucher, Andrea Byekwaso, et al.
Chemistry of Materials : a Publication of the American Chemical Society
|
November 29, 2023
Fast Customization of Chemical Language Models to Out-of-Distribution Data Sets
Alessandra Toniato, Alain C Vaucher, Marzena Maria Lehmann, et al.
Digital Discovery
|
June 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, et al.
Chimia
|
December 4, 2023
Fuelling the Digital Chemistry Revolution with Language Models
Antonio Cardinale, Alessandro Castrogiovanni, Theophile Gaudin, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 7) with videos related to
Sort By:
Page
of 1
Chimia
|
December 4, 2023
The Role of AI in Driving the Sustainability of the Chemical Industry
Alessandra Toniato, Oliver Schilter, Teodoro Laino
Digital Discovery
|
April 17, 2023
Enhancing diversity in language based models for single-step retrosynthesis
Alessandra Toniato, Alain C Vaucher, Philippe Schwaller, et al.
Science Advances
|
June 13, 2025
Negative chemical data boosts language models in reaction outcome prediction
Alessandra Toniato, Alain C Vaucher, Teodoro Laino, et al.
ACS Central Science
|
August 2, 2023
Unbiasing Retrosynthesis Language Models with Disconnection Prompts
Amol Thakkar, Alain C Vaucher, Andrea Byekwaso, et al.
Chemistry of Materials : a Publication of the American Chemical Society
|
November 29, 2023
Fast Customization of Chemical Language Models to Out-of-Distribution Data Sets
Alessandra Toniato, Alain C Vaucher, Marzena Maria Lehmann, et al.
Digital Discovery
|
June 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, et al.
Chimia
|
December 4, 2023
Fuelling the Digital Chemistry Revolution with Language Models
Antonio Cardinale, Alessandro Castrogiovanni, Theophile Gaudin, et al.
Page
of 1