SIMPLE: Sparse Interaction Model over Peaks of moLEcules for fast, interpretable metabolite identification from tandem mass spectra

MOTIVATION: Recent success in metabolite identification from tandem mass spectra has been led by machine learning, which has two stages: mapping mass spectra to molecular fingerprint vectors and then retrieving candidate molecules from the database. In the first stage, i.e. fingerprint prediction, s...

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Detalles Bibliográficos
Autores principales: Nguyen, Dai Hai, Nguyen, Canh Hao, Mamitsuka, Hiroshi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2018
Materias:
Ismb 2018–Intelligent Systems for Molecular Biology Proceedings
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6022642/
https://www.ncbi.nlm.nih.gov/pubmed/29950009
http://dx.doi.org/10.1093/bioinformatics/bty252

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6022642/
https://www.ncbi.nlm.nih.gov/pubmed/29950009
http://dx.doi.org/10.1093/bioinformatics/bty252

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