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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...
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| Vydáno v: | PLoS Comput Biol |
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| Hlavní autoři: | , , , , , , |
| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
Public Library of Science
2021
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| Témata: | |
| On-line přístup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7909622/ https://ncbi.nlm.nih.gov/pubmed/33591968 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pcbi.1008724 |
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