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Adam Hájek

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Open access Feb 2025

SpecTUS: Spectral Translator for Unknown Structures Annotation from EI-MS Spectra

This work introduces SpecTUS: Spectral Translator for Unknown Structures, a deep learning model for de novo structural annotation, translating gas chromatography EI-MS spectra directly into molecular structures without requiring reference databases, which enables the identification of novel compounds absent from spectr...

Adam Hájek, Michal Starý, E. Price et al. · 0 citations

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