Metabolite identification through multiple kernel learning on fragmentation trees

scientific article published on June 2014

Metabolite identification through multiple kernel learning on fragmentation trees is …
instance of (P31):
scholarly articleQ13442814

External links are
P8978DBLP publication IDjournals/bioinformatics/ShenDBR14
P356DOI10.1093/BIOINFORMATICS/BTU275
P8608Fatcat IDrelease_ja4rt4ybhffepi5hepv33uxhni
P932PMC publication ID4058957
P698PubMed publication ID24931979
P5875ResearchGate publication ID263166695

P50authorKai DührkopQ57191385
Juho RousuQ59677352
Sebastian BöckerQ63208429
Huibin ShenQ117222143
P2860cites workSpectral similarity versus structural similarity: mass spectrometryQ114868648
Computational mass spectrometry for small-molecule fragmentationQ114872548
Open Babel: An open chemical toolboxQ21198766
In silico fragmentation for computer assisted identification of metabolite mass spectraQ21284354
KEGG: kyoto encyclopedia of genes and genomesQ24515297
Seven Golden Rules for heuristic filtering of molecular formulas obtained by accurate mass spectrometryQ27136845
Metabolite Identification Using Automated Comparison of High-Resolution Multistage Mass Spectral TreesQ27156570
Computational mass spectrometry for small moleculesQ27703094
MassBank: a public repository for sharing mass spectral data for life sciencesQ27809667
Identifying the Unknowns by Aligning Fragmentation TreesQ28530233
Graph kernels based on tree patterns for moleculesQ29398651
METLIN: a metabolite mass spectral databaseQ29614808
On the inter-instrument and the inter-laboratory transferability of a tandem mass spectral reference library: 2. Optimization and characterization of the search algorithmQ33400813
Computing fragmentation trees from tandem mass spectrometry dataQ33779369
In silico identification software (ISIS): a machine learning approach to tandem mass spectral identification of lipids.Q34271861
An accelerated workflow for untargeted metabolomics using the METLIN databaseQ34298853
Metabolite identification and molecular fingerprint prediction through machine learning.Q34344462
MetFusion: integration of compound identification strategiesQ34620986
Computational methods for metabolic reconstructionQ37695675
Metabolite Identification through Machine Learning- Tackling CASMI Challenge Using FingerIDQ41889850
SIRIUS: decomposing isotope patterns for metabolite identificationQ43184399
Towards de novo identification of metabolites by analyzing tandem mass spectraQ44805412
Finding maximum colorful subtrees in practiceQ45253594
Mass spectral metabonomics beyond elemental formula: chemical database querying by matching experimental with computational fragmentation spectraQ48074398
P275copyright licenseCreative Commons Attribution 3.0 UnportedQ14947546
P6216copyright statuscopyrightedQ50423863
P433issue12
P407language of work or nameEnglishQ1860
P921main subjectmetabolite identificationQ116678277
multiple kernel learningQ25048660
P304page(s)i157-64
P577publication date2014-06-01
P1433published inBioinformaticsQ4914910
P1476titleMetabolite identification through multiple kernel learning on fragmentation trees
P478volume30

Reverse relations

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