Leveraging infrared spectroscopy for automated structure elucidation
- Marvin Alberts
- Teodoro Laino
- et al.
- 2024
- Communications Chemistry
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136 results for Teodoro Laino
Balancing computational chemistry's potential with its environmental impact
- Oliver Schilter
- Philippe Schwaller
- et al.
- 2024
- Green Chemistry
Combining Bayesian optimization and automation to simultaneously optimize reaction conditions and routes
- Oliver Schilter
- Daniel Pacheco Gutierrez
- et al.
- 2024
- Chemical Science
CMD + V for chemistry: Image to chemical structure conversion directly done in the clipboard
- Oliver Tobias Schilter
- Teodoro Laino
- et al.
- 2024
- Appl. AI Lett.
The rise of automated curiosity-driven discoveries in chemistry
- Latimah Bustillo
- Teodoro Laino
- et al.
- 2023
- Chemical Science
Fueling the Digital Chemistry Revolution with Language Models
- Antonio Cardinale
- Alessandro Castrogiovanni
- et al.
- 2023
- Chimia
Standardizing chemical compounds with language models
- Miruna T Cretu
- Alessandra Toniato
- et al.
- 2023
- Machine Learning: Science and Tech.
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
Enhancing diversity in language based models for single-step retrosynthesis
- Alessandra Toniato
- Alain C. Vaucher
- et al.
- 2023
- Digital Discovery