Publications

This is our catalog of recent publications authored by IBM researchers, in collaboration with the global research community. We’re currently adding our back catalog of more than 110,000 publications. It’s an ever-growing body of work that shows why IBM is one of the most important contributors to modern computing.

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25 results for Alain Vaucher

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
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
Automatic structure elucidation from IR spectra
- - Marvin Alberts
  - Teodoro Laino
  - et al.
- 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
Creating labs that learn through automated data management
- - Amol Thakkar
  - Andrea Giovannini
  - et al.
- 2023
- ACS Fall 2023
Automatic structure elucidation from NMR spectra
- - Marvin Alberts
  - Federico Zipoli
  - et al.
- 2023
- ACS Fall 2023
Quantum Chemical Data Generation as Fill-In for Reliability Enhancement of Machine-Learning Reaction and Retrosynthesis Planning
- - Alessandra Toniato
  - Jan Unsleber
  - et al.
- 2023
- MRS Spring Meeting 2023
Data-Driven Reaction Template Fingerprints
- - Anubhab Chakraborty
  - Amol Thakkar
  - et al.
- 2023
- ACS Spring 2023