Standardizing chemical compounds with language models
- Miruna T Cretu
- Alessandra Toniato
- et al.
- 2023
- Machine Learning: Science and Tech.
Publications
Date
Featured collections
Popular topics
36 results for Alain Vaucher
Unbiasing Retrosynthesis Language Models with Disconnection Prompts
- Amol Thakkar
- Alain Vaucher
- et al.
- 2023
- ACS Central Science
Quantum chemical data generation as fill-in for reliability enhancement of machine-learning reaction and retrosynthesis planning
- Alessandra Toniato
- Jan P. Unsleber
- et al.
- 2023
- Digital Discovery
Designing catalysts with deep generative models and computational data. A case study for Suzuki cross coupling reactions
- Oliver Schilter
- Alain Vaucher
- et al.
- 2023
- Digital Discovery
A new era of collaborative experimentation enabled by multi-cloud and AI foundation models
- Patrick Ruch
- Alain Vaucher
- et al.
- 2023
- Future Labs Live 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
Enhancing diversity in language based models for single-step retrosynthesis
- Alessandra Toniato
- Alain C. Vaucher
- et al.
- 2023
- Digital Discovery
Increasing the adoption of machine learning technologies by chemists with graphical and programmatic interfaces
- Alain Vaucher
- Matteo Manica
- et al.
- 2023
- ACS Spring 2023
Data-Driven Reaction Template Fingerprints
- Anubhab Chakraborty
- Amol Thakkar
- et al.
- 2023
- ACS Spring 2023
Standardization of chemical compounds using language modeling
- Miruna Cretu
- Alessandra Toniato
- et al.
- 2023
- ACS Spring 2023