Ontology highlight
ABSTRACT:
SUBMITTER: Huber F
PROVIDER: S-EPMC7909622 | biostudies-literature | 2021 Feb
REPOSITORIES: biostudies-literature
Huber Florian F Ridder Lars L Verhoeven Stefan S Spaaks Jurriaan H JH Diblen Faruk F Rogers Simon S van der Hooft Justin J J JJJ
PLoS computational biology 20210216 2
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 and the true structural similarities have been described, little development of alternative scores has been undertaken. Here, we introduce Spec2Vec, a novel spectral similarity score inspired by a natural language processing algorithm-Word2 ...[more]