Growing strings in a chemical reaction space for searching retrosynthesis pathways
- Federico Zipoli
- Carlo Baldassari
- et al.
- 2024
- npj Computational Materials
Publications
141 results for Teodoro Laino
Combining Bayesian optimization and automation to simultaneously optimize reaction conditions and routes
- Oliver Schilter
- Daniel Pacheco Gutierrez
- et al.
- 2024
- Chemical Science
Combining Bayesian optimization and automation to simultaneously optimize reaction conditions and routes
- Oliver Schilter
- Daniel Pacheco Gutierrez
- et al.
- 2024
- Chemical Science
From Spectra to Structure: Automated structure elucidation for organic chemistry
- 2024
- DMCCB Basel Symposium 2024
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.
Unveiling the Secrets of 1H-NMR Spectroscopy: A Novel Approach Utilizing Attention Mechanisms
- Oliver Schilter
- Marvin Alberts
- et al.
- 2023
- NeurIPS 2023
Language models in molecular discovery
- Nikita Janakarajan
- Tim Erdmann
- et al.
- 2023
- NeurIPS 2023
Using Foundation Models to Promote Digitization and Reproducibility in Scientific Experimentation
- Amol Thakkar
- Andrea Giovannini
- et al.
- 2023
- NeurIPS 2023
Enzeptional: enzyme optimization via a generative language modeling-based evolutionary algorithm
- Yves Gaetan Nana Teukam
- Federico Zipoli
- et al.
- 2023
- MRS Fall Meeting 2023
The rise of automated curiosity-driven discoveries in chemistry
- Latimah Bustillo
- Teodoro Laino
- et al.
- 2023
- Chemical Science