AI system evaluates chemical spectra in minutes

A research team has developed an artificial intelligence (AI) system that proposes suitable molecular structures from the raw data of spectroscopic measurements and assesses their plausibility.

The system is openly accessible and has been published in the journal Nature Communications by researchers from Friedrich Schiller University Jena, Helmholtz-Zentrum Berlin for Materials and Energy, the Helmholtz Institute for Polymers in Energy Applications Jena and the Swiss software company Zakodium Sárl. ...