Science · 1 view
AI method predicts retention times of small molecules more reliably
Whether in drug discovery, environmental analysis or metabolomics: anyone analyzing complex biological samples often needs to identify the small molecules they contain.
AI Summary
Researchers at Friedrich Schiller University Jena, together with collaborators from Helmholtz Zentrum München and the Technical University of Munich, have created a new AI‑based method for predicting the retention times of small molecules. The technique targets a long‑standing challenge in analytical chemistry that affects drug discovery, environmental analysis and metabolomics. By improving prediction reliability, the approach aims to streamline identification of compounds in complex biological samples.
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