NMIRacle: AI-Powered Molecular Structure Determination from Spectroscopic Data
Published:Dec 17, 2025 10:29
•1 min read
•ArXiv
Analysis
This research explores the application of AI, specifically multi-modal generative models, to molecular structure elucidation using IR and NMR spectra. The potential impact is significant, as it could accelerate and automate a critical step in chemical research and drug discovery.
Key Takeaways
- •Leverages AI to determine molecular structures from spectroscopic data.
- •Utilizes IR and NMR spectra as input for the AI model.
- •Potentially accelerates and automates a crucial aspect of chemical research.
Reference
“The research focuses on multi-modal generative molecular elucidation from IR and NMR spectra.”