Tackling CASMI 2012: Solutions from MetFrag and MetFusion (Q30317915)

13 October 2017

Tackling CASMI 2012: Solutions from MetFrag and MetFusion (English)

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13 October 2017

Christoph Ruttkies

1

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Steffen Neumann

series ordinal

3

object named as

Steffen Neumann

1 reference

13 October 2017

Michael Gerlich

2

1 reference

13 October 2017

5 August 2013

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13 October 2017

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13 October 2017

3

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13 October 2017

623-636

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13 October 2017

3

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Creative Commons Attribution 4.0 International

13 October 2017

start time

5 August 2013

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April 2022 Public Data File from Crossref

copyright status

copyrighted

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cites work

Small Molecule Identification with MOLGEN and Mass Spectrometry

1 reference

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CASMI: And the Winner is . .

3 June 2018

1 reference

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CASMI-The Small Molecule Identification Process from a Birmingham Perspective

3 June 2018

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MetFusion: integration of compound identification strategies

3 June 2018

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InChI - the worldwide chemical structure identifier standard

3 June 2018

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3 June 2018

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Understanding and classifying metabolite space and metabolite-likeness

3 June 2018

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MassBank: a public repository for sharing mass spectral data for life sciences

3 June 2018

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In silico fragmentation for computer assisted identification of metabolite mass spectra

3 June 2018

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

3 June 2018

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HMDB: the Human Metabolome Database

3 June 2018

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XCMS: processing mass spectrometry data for metabolite profiling using nonlinear peak alignment, matching, and identification

3 June 2018

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The Chemistry Development Kit (CDK): an open-source Java library for Chemo- and Bioinformatics

3 June 2018

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KEGG: Kyoto Encyclopedia of Genes and Genomes

3 June 2018

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PubChem: Integrated Platform of Small Molecules and Biological Activities

3 June 2018

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Consensus Structure Elucidation Combining GC/EI-MS, Structure Generation, and Calculated Properties

21 January 2018

1 reference

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21 January 2018

Identifiers

DOI

10.3390/METABO3030623

1 reference

13 October 2017

1 reference

13 October 2017

1 reference

PMCID

3901291