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Spec2Vec: Improved mass spectral similarity scoring through learning of structural relationships
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 hav...
| Autores principales: | , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Public Library of Science
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7909622/ https://www.ncbi.nlm.nih.gov/pubmed/33591968 http://dx.doi.org/10.1371/journal.pcbi.1008724 |