(Q37473763)

20 August 2017

Topic modeling for untargeted substructure exploration in metabolomics (English)

1 reference

20 August 2017

1 reference

1 reference

1 reference

Simon Rogers

5

0 references

Joe Wandy

0 references

author name string

Justin Johan Jozias van der Hooft

series ordinal

1

1 reference

20 August 2017

Michael P Barrett

series ordinal

3

1 reference

20 August 2017

Karl E V Burgess

series ordinal

4

1 reference

20 August 2017

language of work or name

English

0 references

publication date

16 November 2016

1 reference

Proceedings of the National Academy of Sciences of the United States of America

20 August 2017

1 reference

20 August 2017

113

1 reference

20 August 2017

48

1 reference

20 August 2017

13738-13743

1 reference

Urinary antihypertensive drug metabolite screening using molecular networking coupled to high-resolution mass spectrometry fragmentation

20 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5137707

A Data Structure for Rapid Mass Spectral Searching

23 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5137707

Illuminating the dark matter in metabolomics

23 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5137707

Searching molecular structure databases with tandem mass spectra using CSI:FingerID.

23 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5137707

MS-DIAL: data-independent MS/MS deconvolution for comprehensive metabolome analysis

23 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5137707

Mass spectral similarity for untargeted metabolomics data analysis of complex mixtures.

23 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5137707

MS2Analyzer: A software for small molecule substructure annotations from accurate tandem mass spectra

23 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5137707

In silico prediction and automatic LC-MS(n) annotation of green tea metabolites in urine

23 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5137707

A comparison of gene set analysis methods in terms of sensitivity, prioritization and specificity

23 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5137707

Molecular networking as a dereplication strategy

23 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5137707

MS/MS networking guided analysis of molecule and gene cluster families.

23 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5137707

Automatic recalibration and processing of tandem mass spectra using formula annotation

23 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5137707

HMDB 3.0--The Human Metabolome Database in 2013

23 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5137707

PeakML/mzMatch: a file format, Java library, R library, and tool-chain for mass spectrometry data analysis

23 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5137707

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

23 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5137707

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

23 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5137707

The latent process decomposition of cDNA microarray data sets

23 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5137707

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

23 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5137707

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

23 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5137707

Pathway level analysis of gene expression using singular value decomposition

23 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5137707

Finding scientific topics

23 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5137707

Updates in metabolomics tools and resources: 2014-2015.

23 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5137707

Toward global metabolomics analysis with hydrophilic interaction liquid chromatography-mass spectrometry: improved metabolite identification by retention time prediction

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5137707

Automatic chemical structure annotation of an LC-MS(n) based metabolic profile from green tea.

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5137707

SIRIUS: decomposing isotope patterns for metabolite identification

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5137707

Fast-Find: a novel computational approach to analyzing combinatorial motifs

2 September 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1608041113

Mass appeal: metabolite identification in mass spectrometry-focused untargeted metabolomics

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1608041113

10.1162/jmlr.2003.3.4-5.993

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1608041113

Structural elucidation of low abundant metabolites in complex sample matrices

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1608041113

Competitive fragmentation modeling of ESI-MS/MS spectra for putative metabolite identification

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1608041113

Computational mass spectrometry for small-molecule fragmentation

21 January 2018

1 reference

5 May 2024

https://opencitations.net/index/api/v1/citations/10.1016/J.TRAC.2013.09.008

Identifiers

DOI

10.1073/PNAS.1608041113

1 reference

20 August 2017

1 reference

20 August 2017

PubMed publication ID

27856765

1 reference