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

13 October 2017

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

1 reference

13 October 2017

Christoph Ruttkies

1

0 references

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

1 reference

13 October 2017

1 reference

13 October 2017

3

1 reference

13 October 2017

3

1 reference

13 October 2017

623-636

1 reference

Creative Commons Attribution 4.0 International

13 October 2017

start time

5 August 2013

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

0 references

cites work

Small Molecule Identification with MOLGEN and Mass Spectrometry

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901291

CASMI: And the Winner is . .

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901291

CASMI-The Small Molecule Identification Process from a Birmingham Perspective

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901291

MetFusion: integration of compound identification strategies

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901291

InChI - the worldwide chemical structure identifier standard

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901291

ZINC: a free tool to discover chemistry for biology

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901291

Understanding and classifying metabolite space and metabolite-likeness

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901291

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

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901291

In silico fragmentation for computer assisted identification of metabolite mass spectra

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901291

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

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901291

HMDB: the Human Metabolome Database

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901291

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

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901291

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

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901291

KEGG: Kyoto Encyclopedia of Genes and Genomes

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901291

PubChem: Integrated Platform of Small Molecules and Biological Activities

3 June 2018

1 reference

Crossref

https://api.crossref.org/works/10.3390%2FMETABO3030623

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

21 January 2018

1 reference

Crossref

https://api.crossref.org/works/10.3390%2FMETABO3030623

21 January 2018

Identifiers

DOI

10.3390/METABO3030623

1 reference

13 October 2017

1 reference

PMC publication ID

3901291

13 October 2017

PubMed publication ID

24958142

1 reference

PMC publication ID

3901291