- Home
- Publications
- Publication Search
- Publication Details
Title
Fragmentation trees reloaded
Authors
Keywords
Mass spectrometry, Metabolites, Natural products , Computational methods, Fragmentation trees
Journal
Journal of Cheminformatics
Volume 8, Issue 1, Pages -
Publisher
Springer Nature
Online
2016-02-01
DOI
10.1186/s13321-016-0116-8
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Accelerated Isotope Fine Structure Calculation Using Pruned Transition Trees
- (2015) Martin Loos et al. ANALYTICAL CHEMISTRY
- Searching molecular structure databases with tandem mass spectra using CSI:FingerID
- (2015) Kai Dührkop et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Using fragmentation trees and mass spectral trees for identifying unknown compounds in metabolomics
- (2015) Arpana Vaniya et al. TRAC-TRENDS IN ANALYTICAL CHEMISTRY
- MIDAS: A Database-Searching Algorithm for Metabolite Identification in Metabolomics
- (2014) Yingfeng Wang et al. ANALYTICAL CHEMISTRY
- Metabolite identification through multiple kernel learning on fragmentation trees
- (2014) Huibin Shen et al. BIOINFORMATICS
- Competitive fragmentation modeling of ESI-MS/MS spectra for putative metabolite identification
- (2014) Felicity Allen et al. Metabolomics
- CFM-ID: a web server for annotation, spectrum prediction and metabolite identification from tandem mass spectra
- (2014) Felicity Allen et al. NUCLEIC ACIDS RESEARCH
- Systematic Structural Characterization of Metabolites inArabidopsisvia Candidate Substrate-Product Pair Networks
- (2014) Kris Morreel et al. PLANT CELL
- Efficient ring perception for the Chemistry Development Kit
- (2014) John W May et al. Journal of Cheminformatics
- Automatic Chemical Structure Annotation of an LC–MSn Based Metabolic Profile from Green Tea
- (2013) Lars Ridder et al. ANALYTICAL CHEMISTRY
- Finding Maximum Colorful Subtrees in Practice
- (2013) Imran Rauf et al. JOURNAL OF COMPUTATIONAL BIOLOGY
- Automatic recalibration and processing of tandem mass spectra using formula annotation
- (2013) Michael A. Stravs et al. JOURNAL OF MASS SPECTROMETRY
- MetFusion: integration of compound identification strategies
- (2013) Michael Gerlich et al. JOURNAL OF MASS SPECTROMETRY
- MS/MS networking guided analysis of molecule and gene cluster families
- (2013) D. D. Nguyen et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Computational mass spectrometry for small-molecule fragmentation
- (2013) Franziska Hufsky et al. TRAC-TRENDS IN ANALYTICAL CHEMISTRY
- Computational mass spectrometry for small molecules
- (2013) Kerstin Scheubert et al. Journal of Cheminformatics
- MolFind: A Software Package Enabling HPLC/MS-Based Identification of Unknown Chemical Structures
- (2012) Lochana C. Menikarachchi et al. ANALYTICAL CHEMISTRY
- Highly Accurate Chemical Formula Prediction Tool Utilizing High-Resolution Mass Spectra, MS/MS Fragmentation, Heuristic Rules, and Isotope Pattern Matching
- (2012) Tomáš Pluskal et al. ANALYTICAL CHEMISTRY
- Identifying the Unknowns by Aligning Fragmentation Trees
- (2012) Florian Rasche et al. ANALYTICAL CHEMISTRY
- Mass Spectral Reference Libraries: An Ever-Expanding Resource for Chemical Identification
- (2012) Stephen Stein ANALYTICAL CHEMISTRY
- Metabolite identification and molecular fingerprint prediction through machine learning
- (2012) M. Heinonen et al. BIOINFORMATICS
- An accelerated workflow for untargeted metabolomics using the METLIN database
- (2012) Ralf Tautenhahn et al. NATURE BIOTECHNOLOGY
- Metabolomics: the apogee of the omics trilogy
- (2012) Gary J. Patti et al. NATURE REVIEWS MOLECULAR CELL BIOLOGY
- Mass spectral molecular networking of living microbial colonies
- (2012) J. Watrous et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Substructure-based annotation of high-resolution multistage MSnspectral trees
- (2012) Lars Ridder et al. RAPID COMMUNICATIONS IN MASS SPECTROMETRY
- Elemental composition determination based on MSn
- (2011) Miguel Rojas-Chertó et al. BIOINFORMATICS
- Computing Fragmentation Trees from Metabolite Multiple Mass Spectrometry Data
- (2011) Kerstin Scheubert et al. JOURNAL OF COMPUTATIONAL BIOLOGY
- The isotopic distribution conundrum
- (2011) Dirk Valkenborg et al. MASS SPECTROMETRY REVIEWS
- Metabolomics: from small molecules to big ideas
- (2011) Monya Baker NATURE METHODS
- Computing Fragmentation Trees from Tandem Mass Spectrometry Data
- (2010) Florian Rasche et al. ANALYTICAL 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
- Mass Spectral Metabonomics beyond Elemental Formula: Chemical Database Querying by Matching Experimental with Computational Fragmentation Spectra
- (2008) Dennis W. Hill et al. ANALYTICAL CHEMISTRY
- Probabilistic assignment of formulas to mass peaks in metabolomics experiments
- (2008) Simon Rogers et al. BIOINFORMATICS
- Towards de novo identification of metabolites by analyzing tandem mass spectra
- (2008) S. Bocker et al. BIOINFORMATICS
- SIRIUS: decomposing isotope patterns for metabolite identification†
- (2008) Sebastian Böcker et al. BIOINFORMATICS
- Combinatorial Approaches for Mass Spectra Recalibration
- (2008) S. Bocker et al. IEEE-ACM Transactions on Computational Biology and Bioinformatics
- Determination of ion structures in structurally related compounds using precursor ion fingerprinting
- (2008) Michelle T. Sheldon et al. JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
- HMDB: a knowledgebase for the human metabolome
- (2008) D. S. Wishart et al. NUCLEIC ACIDS RESEARCH
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExploreBecome a Peeref-certified reviewer
The Peeref Institute provides free reviewer training that teaches the core competencies of the academic peer review process.
Get Started