AI method predicts retention times of small molecules more reliably

AI Summary

Researchers at Friedrich Schiller University Jena and partner institutions developed an AI method that more reliably predicts retention times for small molecules. The technique could support identification of compounds in applications such as drug discovery, environmental analysis and metabolomics.

Whether in drug discovery, environmental analysis or metabolomics: anyone analyzing complex biological samples often needs to identify the small molecules they contain. Researchers at Friedrich Schiller University Jena, in collaboration with partners from the Helmholtz Zentrum München and the Technical University of Munich, have developed a method that addresses a problem in analytical chemistry that has persisted for decades.