Combining high-quality, humanly curated data with language models: the dawn of on-demand machine learning models for digital chemistry
- Alain Vaucher
- Fiona Shortt de Hernandez
- et al.
- 2022
- ACS Fall 2022
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34 results for Alain Vaucher
Deep learning assisted Suzuki cross coupling catalyst design
- Oliver Schilter
- Federico Zipoli
- et al.
- 2022
- ACS Fall 2022
Augmented disconnection aware retrosynthesis to facilitate user interaction
- Amol Thakkar
- Andrea Antonia Byekwaso
- et al.
- 2022
- ACS Fall 2022
Human-in-the-loop for a Disconnection Aware Retrosynthesis
- Andrea Antonia Byekwaso
- Alain Vaucher
- et al.
- 2022
- ACS Spring 2022
Harnessing negative data for enhancing model learning in chemistry
- Alessandra Toniato
- Mara Graziani
- et al.
- 2024
- ACS Fall 2024
Automatic structure elucidation from IR spectra
- 2023
- ACS Fall 2023
Increasing the adoption of machine learning technologies by chemists with graphical and programmatic interfaces
- Alain Vaucher
- Matteo Manica
- et al.
- 2023
- ACS Spring 2023
Multimodal Transformer models for Structure Elucidation from Spectra
- Marvin Alberts
- Alain Vaucher
- 2024
- ACS Spring 2024
Creating labs that learn through automated data management
- Amol Thakkar
- Andrea Giovannini
- et al.
- 2023
- ACS Fall 2023
Automatic structure elucidation from NMR spectra
- 2023
- ACS Fall 2023