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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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Bibliografske podrobnosti
izdano v:Bioinformatics
Main Authors: 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 dostop: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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