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Fast metabolite identification with Input Output Kernel Regression

Motivation: An important problematic of metabolomics is to identify metabolites using tandem mass spectrometry data. Machine learning methods have been proposed recently to solve this problem by predicting molecular fingerprint vectors and matching these fingerprints against existing molecular struc...

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Bibliografski detalji
Izdano u:Bioinformatics
Glavni autori: Brouard, Céline, Shen, Huibin, Dührkop, Kai, d'Alché-Buc, Florence, Böcker, Sebastian, Rousu, Juho
Format: Artigo
Jezik:Inglês
Izdano: Oxford University Press 2016
Teme:
Online pristup:https://ncbi.nlm.nih.gov/pmc/articles/PMC4908330/
https://ncbi.nlm.nih.gov/pubmed/27307628
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1093/bioinformatics/btw246
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