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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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Detalles Bibliográficos
Autores principales:	Brouard, Céline, Shen, Huibin, Dührkop, Kai, d'Alché-Buc, Florence, Böcker, Sebastian, Rousu, Juho
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Oxford University Press 2016
Materias:	Ismb 2016 Proceedings July 8 to July 12, 2016, Orlando, Florida
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4908330/ https://www.ncbi.nlm.nih.gov/pubmed/27307628 http://dx.doi.org/10.1093/bioinformatics/btw246

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