Publications

37 results for Alain Vaucher

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