Leveraging infrared spectroscopy for automated structure elucidation
- Marvin Alberts
- Teodoro Laino
- et al.
- 2024
- Communications Chemistry
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36 results for Alain Vaucher
Harnessing negative data for enhancing model learning in chemistry
- Alessandra Toniato
- Mara Graziani
- et al.
- 2024
- ACS Fall 2024
Completion of partial chemical equations
- Federico Zipoli
- Zeineb Ayadi
- et al.
- 2024
- Machine Learning: Science and Tech.
Multimodal Transformer models for Structure Elucidation from Spectra
- Marvin Alberts
- Alain Vaucher
- 2024
- ACS Spring 2024
Unveiling the Secrets of 1H-NMR Spectroscopy: A Novel Approach Utilizing Attention Mechanisms
- Oliver Schilter
- Marvin Alberts
- et al.
- 2023
- NeurIPS 2023
Learning the Language of NMR: Structure Elucidation from NMR spectra using Transformer Models
- 2023
- NeurIPS 2023
Automatic structure elucidation from IR spectra
- 2023
- ACS Fall 2023
Automatic structure elucidation from NMR spectra
- 2023
- ACS Fall 2023
Creating labs that learn through automated data management
- Amol Thakkar
- Andrea Giovannini
- et al.
- 2023
- ACS Fall 2023
Fueling the Digital Chemistry Revolution with Language Models
- Antonio Cardinale
- Alessandro Castrogiovanni
- et al.
- 2023
- Chimia