Negative chemical data boosts language models in reaction outcome prediction
- Alessandra Toniato
- Alain C. Vaucher
- et al.
- 2025
- Science Advances
Paper
Publications
37 results for Alain Vaucher
Leveraging infrared spectroscopy for automated structure elucidation
- Marvin Alberts
- Teodoro Laino
- et al.
- 2024
- Communications Chemistry
PaperHarnessing negative data for enhancing model learning in chemistry
- Alessandra Toniato
- Mara Graziani
- et al.
- 2024
- ACS Fall 2024
Invited talkCompletion of partial chemical equations
- Federico Zipoli
- Zeineb Ayadi
- et al.
- 2024
- Machine Learning: Science and Tech.
PaperMultimodal Transformer models for Structure Elucidation from Spectra
- Marvin Alberts
- Alain Vaucher
- 2024
- ACS Spring 2024
TalkLearning the Language of NMR: Structure Elucidation from NMR spectra using Transformer Models
- Marvin Alberts
- Federico Zipoli
- et al.
- 2023
- NeurIPS 2023
Workshop paperUnveiling the Secrets of 1H-NMR Spectroscopy: A Novel Approach Utilizing Attention Mechanisms
- Oliver Schilter
- Marvin Alberts
- et al.
- 2023
- NeurIPS 2023
Workshop paperAutomatic structure elucidation from IR spectra
- Marvin Alberts
- Teodoro Laino
- et al.
- 2023
- ACS Fall 2023
Invited talkAutomatic structure elucidation from NMR spectra
- Marvin Alberts
- Federico Zipoli
- et al.
- 2023
- ACS Fall 2023
TalkCreating labs that learn through automated data management
- Amol Thakkar
- Andrea Giovannini
- et al.
- 2023
- ACS Fall 2023
Talk