(Q34286534)

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PyMS: a Python toolkit for processing of gas chromatography-mass spectrometry (GC-MS) data. Application and comparative study of selected tools

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scholarly article

1 reference

Europe PubMed Central

1 August 2017

PyMS: a Python toolkit for processing of gas chromatography-mass spectrometry (GC-MS) data. Application and comparative study of selected tools (English)

1 reference

Europe PubMed Central

1 August 2017

Sean O'Callaghan

object named as

Sean O'Callaghan

1

0 references

Moshe Olshansky

object named as

Moshe Olshansky

6

0 references

object named as

David P De Souza

2

0 references

object named as

Ute Roessner

10

0 references

11

object named as

Antony Bacic

1 reference

Europe PubMed Central

1 August 2017

author name string

Andrew Isaac

3

1 reference

Europe PubMed Central

1 August 2017

Qiao Wang

4

1 reference

Europe PubMed Central

1 August 2017

Luke Hodkinson

5

1 reference

Europe PubMed Central

1 August 2017

Tim Erwin

7

1 reference

Europe PubMed Central

1 August 2017

Bill Appelbe

8

1 reference

Europe PubMed Central

1 August 2017

Dedreia L Tull

9

1 reference

Europe PubMed Central

1 August 2017

Malcolm J McConville

12

1 reference

Europe PubMed Central

1 August 2017

Vladimir A Likić

13

1 reference

Europe PubMed Central

1 August 2017

language of work or name

1 reference

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inferred from title

publication date

30 May 2012

1 reference

Europe PubMed Central

1 August 2017

BMC Bioinformatics

1 reference

Europe PubMed Central

1 August 2017

13

1 reference

Europe PubMed Central

1 August 2017

115

1 reference

Europe PubMed Central

1 August 2017

https://scigraph.springernature.com/pub.10.1186/1471-2105-13-115

0 references

Advances in metabolite identification

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3533878

6 July 2018

Metab: an R package for high-throughput analysis of metabolomics data generated by GC-MS.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3533878

6 July 2018

Web-based inference of biological patterns, functions and pathways from metabolomic data using MetaboAnalyst

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3533878

6 July 2018

Metabolomic data processing, analysis, and interpretation using MetaboAnalyst

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3533878

6 July 2018

Mass spectrometry strategies in metabolomics

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3533878

6 July 2018

A software complement to AMDIS for processing GC-MS metabolomic data

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3533878

6 July 2018

Metabolite identification by mass spectrometry: forty years of evolution

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3533878

6 July 2018

Acid stress-mediated metabolic shift in Lactobacillus sanfranciscensis LSCE1.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3533878

6 July 2018

Evaluation of automated sample preparation, retention time locked gas chromatography-mass spectrometry and data analysis methods for the metabolomic study of Arabidopsis species

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3533878

6 July 2018

OpenChrom: a cross-platform open source software for the mass spectrometric analysis of chromatographic data

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3533878

6 July 2018

The MetabolomeExpress Project: enabling web-based processing, analysis and transparent dissemination of GC/MS metabolomics datasets

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3533878

6 July 2018

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

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3533878

6 July 2018

mMass 3: a cross-platform software environment for precise analysis of mass spectrometric data.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3533878

6 July 2018

TargetSearch--a Bioconductor package for the efficient preprocessing of GC-MS metabolite profiling data

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3533878

6 July 2018

A general-purpose baseline estimation algorithm for spectroscopic data

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3533878

6 July 2018

Extraction of pure components from overlapped signals in gas chromatography-mass spectrometry (GC-MS)

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3533878

6 July 2018

ChromA: signal-based retention time alignment for chromatography-mass spectrometry data

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3533878

6 July 2018

MetaboliteDetector: comprehensive analysis tool for targeted and nontargeted GC/MS based metabolome analysis

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3533878

6 July 2018

MetAlign: interface-driven, versatile metabolomics tool for hyphenated full-scan mass spectrometry data preprocessing

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3533878

6 July 2018

Highly sensitive feature detection for high resolution LC/MS

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3533878

6 July 2018

An iterative block-shifting approach to retention time alignment that preserves the shape and area of gas chromatography-mass spectrometry peaks

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3533878

6 July 2018

Baseline correction for NMR spectroscopic metabolomics data analysis

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3533878

6 July 2018

Wavelet filtering before spike detection preserves waveform shape and enhances single-unit discrimination

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3533878

6 July 2018

Extending the breadth of metabolite profiling by gas chromatography coupled to mass spectrometry

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3533878

6 July 2018

Gas chromatography/mass spectrometry in metabolic profiling of biological fluids

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3533878

6 July 2018

Feature detection and alignment of hyphenated chromatographic-mass spectrometric data. Extraction of pure ion chromatograms using Kalman tracking

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3533878

6 July 2018

A dynamic programming approach for the alignment of signal peaks in multiple gas chromatography-mass spectrometry experiments

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3533878

6 July 2018

Current progress in computational metabolomics

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3533878

6 July 2018

Data processing for mass spectrometry-based metabolomics

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3533878

6 July 2018

Systematic identification of conserved metabolites in GC/MS data for metabolomics and biomarker discovery

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3533878

6 July 2018

HMDB: the Human Metabolome Database

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3533878

6 July 2018

MathDAMP: a package for differential analysis of metabolite profiles

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3533878

6 July 2018

MetaQuant: a tool for the automatic quantification of GC/MS-based metabolome data

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3533878

6 July 2018

Mass spectrometry-based metabolomics

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3533878

6 July 2018

MET-IDEA: data extraction tool for mass spectrometry-based metabolomics

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3533878

6 July 2018

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

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3533878

6 July 2018

METLIN: a metabolite mass spectral database

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3533878

6 July 2018

MZmine: toolbox for processing and visualization of mass spectrometry based molecular profile data

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3533878

6 July 2018

The expanding role of mass spectrometry in metabolite profiling and characterization

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3533878

6 July 2018

Chemical derivatization and mass spectral libraries in metabolic profiling by GC/MS and LC/MS/MS.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3533878

6 July 2018

GMD@CSB.DB: the Golm Metabolome Database

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3533878

6 July 2018

Mass spectrometry in metabolome analysis.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3533878

6 July 2018

Project management system for structural and functional proteomics: Sesame

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3533878

6 July 2018

High-speed peak matching algorithm for retention time alignment of gas chromatographic data for chemometric analysis

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3533878

6 July 2018

Automatic analysis of DNA microarray images using mathematical morphology

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3533878

6 July 2018

Plant metabolomics: large-scale phytochemistry in the functional genomics era.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3533878

6 July 2018

Chromatographic alignment by warping and dynamic programming as a pre-processing tool for PARAFAC modelling of liquid chromatography-mass spectrometry data

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3533878

6 July 2018

Standardizing GC-MS metabolomics.

1 reference

https://api.crossref.org/works/10.1186%2F1471-2105-13-115

21 January 2018

Metabolomics spectral formatting, alignment and conversion tools (MSFACTs).

1 reference

https://api.crossref.org/works/10.1186%2F1471-2105-13-115

21 January 2018

TagFinder for the quantitative analysis of gas chromatography--mass spectrometry (GC-MS)-based metabolite profiling experiments.

1 reference

https://api.crossref.org/works/10.1186%2F1471-2105-13-115

21 January 2018

Metabolite differentiation and discovery lab (MeDDL): a new tool for biomarker discovery and mass spectral visualization

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https://api.crossref.org/works/10.1186%2F1471-2105-13-115

21 January 2018

Study of automated mass spectral deconvolution and identification system (AMDIS) in pesticide residue analysis.

1 reference

https://api.crossref.org/works/10.1186%2F1471-2105-13-115

21 January 2018

A strategy for identifying differences in large series of metabolomic samples analyzed by GC/MS.

1 reference

https://api.crossref.org/works/10.1186%2F1471-2105-13-115

21 January 2018

Plant phenotype demarcation using nontargeted LC-MS and GC-MS metabolite profiling.

1 reference

https://api.crossref.org/works/10.1186%2F1471-2105-13-115

21 January 2018

Metabolomics study on the anti-depression effect of xiaoyaosan on rat model of chronic unpredictable mild stress

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21 January 2018

Untargeted metabolic profiling reveals potential biomarkers in myocardial infarction and its application

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21 January 2018

Establishment and application of a metabolomics workflow for identification and profiling of volatiles from leaves of Vitis vinifera by HS-SPME-GC-MS.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3533878

28 October 2018

Mass spectrometry in environmental sciences

1 reference

https://pubmed.ncbi.nlm.nih.gov/22647087

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Determination of airborne polycyclic aromatic hydrocarbons at an airport by gas chromatography-mass spectrometry and evaluation of occupational exposure

1 reference

https://pubmed.ncbi.nlm.nih.gov/22647087

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Metabolite profiling: from diagnostics to systems biology

1 reference

https://pubmed.ncbi.nlm.nih.gov/22647087

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Metabolic profiles: gas-phase methods for analysis of metabolites

1 reference

https://pubmed.ncbi.nlm.nih.gov/22647087

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Metabolite profiling of germinating rice seeds

1 reference

https://pubmed.ncbi.nlm.nih.gov/22647087

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Spectral deconvolution for overlapping GC/MS components

1 reference

https://pubmed.ncbi.nlm.nih.gov/22647087

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identifiers

10.1186/1471-2105-13-115

1 reference

Europe PubMed Central

1 August 2017

DBLP publication ID

journals/bmcbi/OCallaghanSIWHOEATRBML12

1 reference

DBLP Dataset 2021-01-02

28 January 2021

Dimensions Publication ID

0 references

1 reference

Europe PubMed Central

1 August 2017

1 reference

Europe PubMed Central

1 August 2017

ResearchGate publication ID

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