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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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Detalhes bibliográficos
Publicado no:Bioinformatics
Main Authors: Brouard, Céline, Shen, Huibin, Dührkop, Kai, d'Alché-Buc, Florence, Böcker, Sebastian, Rousu, Juho
Formato: Artigo
Idioma:Inglês
Publicado em: Oxford University Press 2016
Assuntos:
Acesso em linha: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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