Spec2Vec: Improved mass spectral similarity scoring through learning of structural relationships.
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DOI: 10.1371/journal.pcbi.1008724
Abstract: Spectral similarity is used as a proxy for structural similarity in many tandem mass spectrometry (MS/MS) based metabolomics analyses such as library matching and molecular networking. Although weaknesses in the relationship between spectral similarity scores… read more here.
Keywords: similarity scoring; similarity; improved mass; spectral similarity ... See more keywords