Language Model Enabled Structure Prediction from Infrared Spectra of Mixtures
- Marvin Alberts
- Filippo Ficarra
- et al.
- 2025
- NeurIPS 2025
Publications
147 results for Teodoro Laino
Automated Structure Elucidation at Human-Level Accuracy via a Multimodal Multitask Language Model
- Marvin Alberts
- Nina Hartrampf
- et al.
- 2025
- NeurIPS 2025
Transformer Model for Structure Elucidation from Tandem Mass Spectroscopy data
- Laura Mismetti
- Marvin Alberts
- et al.
- 2025
- SCS Fall Meeting 2025
Automated Structure Elucidation at Human-Level Accuracy via Multimodal Multitask Language Model
- Marvin Alberts
- Nina Hartrampf
- et al.
- 2025
- SCS Fall Meeting 2025
Spectra to Molecule: A Multimodal Multitasking Transformer Model for Automated Structure Elucidation
- 2025
- ACS Fall 2025
Transformer Model for Structure Elucidation from Tandem Mass Spectroscopy data
- Laura Mismetti
- Marvin Alberts
- et al.
- 2025
- ACS Fall 2025
From Spectra to Structure: AI-Powered 31P-NMR Interpretation
- Marvin Alberts
- Nina Hartrampf
- et al.
- 2025
- ACS Fall 2025
From Spectra to Structure: AI-Powered31P NMR Interpretation
- Marvin Alberts
- Nina Hartrampf
- et al.
- 2025
- Analytical Chemistry
Setting new benchmarks in AI-driven infrared structure elucidation
- Marvin Alberts
- Federico Zipoli
- et al.
- 2025
- Digital Discovery
Negative chemical data boosts language models in reaction outcome prediction
- Alessandra Toniato
- Alain C. Vaucher
- et al.
- 2025
- Science Advances