CSU-MS2: A Contrastive Learning Framework for Cross-Modal Compound Identification from MS/MS Spectra to Molecular Structures.
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DOI: 10.1021/acs.analchem.5c01594
Abstract: Tandem mass spectrometry (MS/MS) is a cornerstone for compound identification in complex mixtures, but conventional spectral matching approaches face critical limitations due to limited library coverage and matching algorithms. To address this, we propose CSU-MS2… read more here.
Keywords: spectra molecular; compound identification; framework; csu ms2 ... See more keywords