SIRIUS: decomposing isotope patterns for metabolite identification. - Wikidata - awgldk - TriplyDB

SIRIUS: decomposing isotope patterns for metabolite identification.

SIRIUS: decomposing isotope patterns for metabolite identification.

http://www.wikidata.org/entity/Q43184399

about

Computational mass spectrometry for small molecules Fragmentation trees reloaded Molecular Approaches to Screen Bioactive Compounds from Endophytic Fungi Mining the unknown: a systems approach to metabolite identification combining genetic and metabolic information.CASMI: And the Winner is . .Advances in structure elucidation of small molecules using mass spectrometry Prediction, Detection, and Validation of Isotope Clusters in Mass Spectrometry Data The WEIZMASS spectral library for high-confidence metabolite identification The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching MetAssign: probabilistic annotation of metabolites from LC-MS data using a Bayesian clustering approach.Stronger findings from mass spectral data through multi-peak modeling Mining molecular structure databases: Identification of small molecules based on fragmentation mass spectrometry data.Automatic Compound Annotation from Mass Spectrometry Data Using MAGMa.Construction of confidence regions for isotopic abundance patterns in LC/MS data sets for rigorous determination of molecular formulas.Accurate peak list extraction from proteomic mass spectra for identification and profiling studies.From chromatogram to analyte to metabolite. How to pick horses for courses from the massive web-resources for mass spectral plant metabolomics Improved genome annotation through untargeted detection of pathway-specific metabolites Structural investigation of ribosomally synthesized natural products by hypothetical structure enumeration and evaluation using tandem MS.Metabolomics reveals increased isoleukotoxin diol (12,13-DHOME) in human plasma after acute Intralipid infusion Towards automated discrimination of lipids versus peptides from full scan mass spectra.Integration of untargeted metabolomics with transcriptomics reveals active metabolic pathways.Winners of CASMI2013: Automated Tools and Challenge Data N-lactoyl-amino acids are ubiquitous metabolites that originate from CNDP2-mediated reverse proteolysis of lactate and amino acids.ATP-binding Cassette Subfamily C Member 5 (ABCC5) Functions as an Efflux Transporter of Glutamate Conjugates and Analogs.Topic modeling for untargeted substructure exploration in metabolomics.BRAIN 2.0: time and memory complexity improvements in the algorithm for calculating the isotope distribution.Computational strategies for metabolite identification in metabolomics.Advances in bioanalytical LC-MS using the Orbitrap™ mass analyzer.Advances in metabolite identification.High-resolution plant metabolomics: from mass spectral features to metabolites and from whole-cell analysis to subcellular metabolite distributions.Comparative mass spectrometry-based metabolomics strategies for the investigation of microbial secondary metabolites.Recent (2000-2015) developments in the analysis of minor unknown natural products based on characteristic fragment information using LC-MS.Automated LC-HRMS(/MS) approach for the annotation of fragment ions derived from stable isotope labeling-assisted untargeted metabolomics.Imaging mass spectrometry for metabolites: technical progress, multimodal imaging, and biological interactions.Molecular Formula Identification with SIRIUS.Genetic algorithm for shift-uncertainty correction in 1-D NMR-based metabolite identifications and quantifications.Fourier transform mass spectrometry.Evaluation of relative isotopic abundance measurements in a quadrupole time-of-flight mass spectrometer for elemental composition determination of natural products in traditional Chinese medicine.Metabolomics for undergraduates: Identification and pathway assignment of mitochondrial metabolites.Metabolite identification through multiple kernel learning on fragmentation trees.

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SIRIUS: decomposing isotope patterns for metabolite identification.

http://www.wikidata.org/entity/Q43184399

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name

SIRIUS: decomposing isotope patterns for metabolite identification.

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SIRIUS: decomposing isotope patterns for metabolite identification.

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SIRIUS: decomposing isotope patterns for metabolite identification.

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SIRIUS: decomposing isotope patterns for metabolite identification.

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SIRIUS: decomposing isotope patterns for metabolite identification.

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SIRIUS: decomposing isotope patterns for metabolite identification.

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SIRIUS: decomposing isotope patterns for metabolite identification.

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Anton Pervukhin

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Matthias C Letzel

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Zsuzsanna Lipták

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P2860

From genomics to chemical genomics: new developments in KEGG

Seven Golden Rules for heuristic filtering of molecular formulas obtained by accurate mass spectrometry

Knapsack Problems

The Ame2003 atomic mass evaluation

ProbID: a probabilistic algorithm to identify peptides through sequence database searching using tandem mass spectral data.

ProFound: an expert system for protein identification using mass spectrometric peptide mapping information.

ProteomeCommons.org IO Framework: reading and writing multiple proteomics data formats.

Metabolomic database annotations via query of elemental compositions: mass accuracy is insufficient even at less than 1 ppm

Metabolite annotations based on the integration of mass spectral information.

Towards de novo identification of metabolites by analyzing tandem mass spectra.

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218-224

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scholarly article

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10.1093/BIOINFORMATICS/BTN603

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2

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25

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Sebastian Böcker

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2008-11-17T00:00:00Z

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