Improved metabolite identification with MIDAS and MAGMa through MS/MS spectral dataset-driven parameter optimization
Published 2016 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Improved metabolite identification with MIDAS and MAGMa through MS/MS spectral dataset-driven parameter optimization
Authors
Keywords
Untargeted metabolomics, Metabolite identification, MAGMa, Method comparison, Method optimization, Machine learning
Journal
Metabolomics
Volume 12, Issue 6, Pages -
Publisher
Springer Nature
Online
2016-04-29
DOI
10.1007/s11306-016-1036-3
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Using fragmentation trees and mass spectral trees for identifying unknown compounds in metabolomics
- (2015) Arpana Vaniya et al. TRAC-TRENDS IN ANALYTICAL CHEMISTRY
- MINEs: open access databases of computationally predicted enzyme promiscuity products for untargeted metabolomics
- (2015) James G Jeffryes et al. Journal of Cheminformatics
- MIDAS: A Database-Searching Algorithm for Metabolite Identification in Metabolomics
- (2014) Yingfeng Wang et al. ANALYTICAL CHEMISTRY
- Overview of software options for processing, analysis and interpretation of mass spectrometric proteomic data
- (2014) Steve. W. Haga et al. JOURNAL OF MASS SPECTROMETRY
- Computational mass spectrometry for small-molecule fragmentation
- (2013) Franziska Hufsky et al. TRAC-TRENDS IN ANALYTICAL CHEMISTRY
- Metabolite identification and molecular fingerprint prediction through machine learning
- (2012) M. Heinonen et al. BIOINFORMATICS
- Mass appeal: metabolite identification in mass spectrometry-focused untargeted metabolomics
- (2012) Warwick B. Dunn et al. Metabolomics
- An accelerated workflow for untargeted metabolomics using the METLIN database
- (2012) Ralf Tautenhahn et al. NATURE BIOTECHNOLOGY
- HMDB 3.0—The Human Metabolome Database in 2013
- (2012) David S. Wishart et al. NUCLEIC ACIDS RESEARCH
- Substructure-based annotation of high-resolution multistage MSnspectral trees
- (2012) Lars Ridder et al. RAPID COMMUNICATIONS IN MASS SPECTROMETRY
- Open Babel: An open chemical toolbox
- (2011) Noel M O'Boyle et al. Journal of Cheminformatics
- Computational mass spectrometry for metabolomics: Identification of metabolites and small molecules
- (2010) Steffen Neumann et al. ANALYTICAL AND BIOANALYTICAL CHEMISTRY
- In silico fragmentation for computer assisted identification of metabolite mass spectra
- (2010) Sebastian Wolf et al. BMC BIOINFORMATICS
- MassBank: a public repository for sharing mass spectral data for life sciences
- (2010) Hisayuki Horai et al. JOURNAL OF MASS SPECTROMETRY
- Chemical substructures that enrich for biological activity
- (2008) Justin Klekota et al. BIOINFORMATICS
- HMDB: a knowledgebase for the human metabolome
- (2008) D. S. Wishart et al. NUCLEIC ACIDS RESEARCH
Discover Peeref hubs
Discuss science. Find collaborators. Network.
Join a conversationPublish scientific posters with Peeref
Peeref publishes scientific posters from all research disciplines. Our Diamond Open Access policy means free access to content and no publication fees for authors.
Learn More