Cargando…

MUSCLE: automated multi-objective evolutionary optimization of targeted LC-MS/MS analysis

Summary: Developing liquid chromatography tandem mass spectrometry (LC-MS/MS) analyses of (bio)chemicals is both time consuming and challenging, largely because of the large number of LC and MS instrument parameters that need to be optimized. This bottleneck significantly impedes our ability to esta...

Descripción completa

Detalles Bibliográficos
Autores principales:	Bradbury, James, Genta-Jouve, Grégory, Allwood, J. William, Dunn, Warwick B., Goodacre, Royston, Knowles, Joshua D., He, Shan, Viant, Mark R.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Oxford University Press 2015
Materias:	Applications Notes
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4380028/ https://www.ncbi.nlm.nih.gov/pubmed/25388146 http://dx.doi.org/10.1093/bioinformatics/btu740

Ejemplares similares

HAMMER: automated operation of mass frontier to construct in silico mass spectral fragmentation libraries
por: Zhou, Jiarui, et al.
Publicado: (2014)

MetMSLine: an automated and fully integrated pipeline for rapid processing of high-resolution LC–MS metabolomic datasets
por: Edmands, William M. B., et al.
Publicado: (2015)

Peak Pair Pruner: a post-processing software to MS-DIAL for peak pair validation and ratio quantification of isotopic labeling LC-MS(/MS) data
por: Smith, Ryan A, et al.
Publicado: (2023)

MassCascade: Visual Programming for LC-MS Data Processing in Metabolomics
por: Beisken, Stephan, et al.
Publicado: (2014)

Homologue series detection and management in LC-MS data with homologueDiscoverer
por: Mildau, Kevin, et al.
Publicado: (2022)

MetExtract: a new software tool for the automated comprehensive extraction of metabolite-derived LC/MS signals in metabolomics research
por: Bueschl, Christoph, et al.
Publicado: (2012)

aLFQ: an R-package for estimating absolute protein quantities from label-free LC-MS/MS proteomics data
por: Rosenberger, George, et al.
Publicado: (2014)

Automated workflows for accurate mass-based putative metabolite identification in LC/MS-derived metabolomic datasets
por: Brown, Marie, et al.
Publicado: (2011)

ProbMetab: an R package for Bayesian probabilistic annotation of LC–MS-based metabolomics
por: Silva, Ricardo R., et al.
Publicado: (2014)

metID: an R package for automatable compound annotation for LC−MS-based data
por: Shen, Xiaotao, et al.
Publicado: (2021)

ipaPy2: Integrated Probabilistic Annotation (IPA) 2.0—an improved Bayesian-based method for the annotation of LC–MS/MS untargeted metabolomics data
por: Del Carratore, Francesco, et al.
Publicado: (2023)

An R package to analyse LC/MS metabolomic data: MAIT (Metabolite Automatic Identification Toolkit)
por: Fernández-Albert, Francesc, et al.
Publicado: (2014)

PiMP my metabolome: an integrated, web-based tool for LC-MS metabolomics data
por: Gloaguen, Yoann, et al.
Publicado: (2017)

eMZed: an open source framework in Python for rapid and interactive development of LC/MS data analysis workflows
por: Kiefer, Patrick, et al.
Publicado: (2013)

pepgrep: A Tool for Peptide MS/MS Pattern Matching
por: Chernukhin, Igor
Publicado: (2013)

peakPantheR, an R package for large-scale targeted extraction and integration of annotated metabolic features in LC–MS profiling datasets
por: Wolfer, Arnaud M, et al.
Publicado: (2021)

MAGI-MS: multiple seed-centric module discovery
por: Chow, Julie C, et al.
Publicado: (2022)

EasyLCMS: an asynchronous web application for the automated quantification of LC-MS data
por: Fructuoso, Sergio, et al.
Publicado: (2012)

A System for Information Management in BioMedical Studies—SIMBioMS
por: Krestyaninova, Maria, et al.
Publicado: (2009)

Automated LC-MS/MS: Ready for the clinical routine Laboratory?
por: Junger, Sina, et al.
Publicado: (2023)

NTFD—a stand-alone application for the non-targeted detection of stable isotope-labeled compounds in GC/MS data
por: Hiller, Karsten, et al.
Publicado: (2013)

EvolClust: automated inference of evolutionary conserved gene clusters in eukaryotes
por: Marcet-Houben, Marina, et al.
Publicado: (2020)

ms-data-core-api: an open-source, metadata-oriented library for computational proteomics
por: Perez-Riverol, Yasset, et al.
Publicado: (2015)

LipidFinder on LIPID MAPS: peak filtering, MS searching and statistical analysis for lipidomics
por: Fahy, Eoin, et al.
Publicado: (2019)

In-Source Decay and Pseudo-MS(3) of Peptide and Protein Ions Using Liquid AP-MALDI
por: Ait-Belkacem, Rima, et al.
Publicado: (2016)

Ms2lda.org: web-based topic modelling for substructure discovery in mass spectrometry
por: Wandy, Joe, et al.
Publicado: (2018)

VisioProt-MS: interactive 2D maps from intact protein mass spectrometry
por: Locard-Paulet, Marie, et al.
Publicado: (2019)

MsQuality: an interoperable open-source package for the calculation of standardized quality metrics of mass spectrometry data
por: Naake, Thomas, et al.
Publicado: (2023)

Quantitative LC–MS study of compounds found predictive of COVID-19 severity and outcome
por: Roberts, Ivayla, et al.
Publicado: (2023)

DExSI: a new tool for the rapid quantitation of (13)C-labelled metabolites detected by GC-MS
por: Dagley, Michael J, et al.
Publicado: (2018)

iq: an R package to estimate relative protein abundances from ion quantification in DIA-MS-based proteomics
por: Pham, Thang V, et al.
Publicado: (2020)

Inter-laboratory reproducibility of fast gas chromatography–electron impact–time of flight mass spectrometry (GC–EI–TOF/MS) based plant metabolomics
por: Allwood, J. William, et al.
Publicado: (2009)

Cheetah-MS: a web server to model protein complexes using tandem cross-linking mass spectrometry data
por: Khakzad, Hamed, et al.
Publicado: (2021)

Evolutionary Trace Annotation Server: automated enzyme function prediction in protein structures using 3D templates
por: Matthew Ward, R., et al.
Publicado: (2009)

MS/MS-Guided Isolation of Clarinoside, a New Anti-Inflammatory Pentalogin Derivative
por: Audoin, Coralie, et al.
Publicado: (2018)

Development and validation of a reliable LC–MS/MS method for quantitative analysis of usnic acid in Cladonia uncialis
por: Sveshnikova, Natalia, et al.
Publicado: (2019)

Integrating automation and LC/MS for drug discovery bioanalysis
por: Rossi, David T.
Publicado: (2002)

LC, MS(n) and LC–MS/MS studies for the characterization of degradation products of amlodipine
por: Tiwari, Ravi N., et al.
Publicado: (2015)

The role of reporting standards for metabolite annotation and identification in metabolomic studies
por: Salek, Reza M, et al.
Publicado: (2013)

Alignstein: Optimal transport for improved LC-MS retention time alignment
por: Skoraczyński, Grzegorz, et al.
Publicado: (2022)

Cannot write session to /tmp/vufind_sessions/sess_3dni7p8ou7h4rboi1bhkcukqpb