BioinformaticsPLoS Computational BiologyPeer-reviewed
Spec2Vec: Improved mass spectral similarity scoring through learning of structural relationships
Florian Huber, Lars Ridder, Stefan Verhoeven…·Justin J. J. van der Hooft
Spec2Vec improves spectral similarity scoring by learning fragmental relationships, showing better correlation with structural similarity than cosine-based scores in metabolomics analyses.
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