Cargando…

speaq 2.0: A complete workflow for high-throughput 1D NMR spectra processing and quantification

Nuclear Magnetic Resonance (NMR) spectroscopy is, together with liquid chromatography-mass spectrometry (LC-MS), the most established platform to perform metabolomics. In contrast to LC-MS however, NMR data is predominantly being processed with commercial software. Meanwhile its data processing rema...

Descripción completa

Detalles Bibliográficos
Autores principales:	Beirnaert, Charlie, Meysman, Pieter, Vu, Trung Nghia, Hermans, Nina, Apers, Sandra, Pieters, Luc, Covaci, Adrian, Laukens, Kris
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Public Library of Science 2018
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5849334/ https://www.ncbi.nlm.nih.gov/pubmed/29494588 http://dx.doi.org/10.1371/journal.pcbi.1006018

Ejemplares similares

Using Expert Driven Machine Learning to Enhance Dynamic Metabolomics Data Analysis
por: Beirnaert, Charlie, et al.
Publicado: (2019)

Getting Your Peaks in Line: A Review of Alignment Methods for NMR Spectral Data
por: Vu, Trung Nghia, et al.
Publicado: (2013)

Exposure of HepaRG Cells to Sodium Saccharin Underpins the Importance of Including Non-Hepatotoxic Compounds When Investigating Toxicological Modes of Action Using Metabolomics
por: Cuykx, Matthias, et al.
Publicado: (2019)

An integrated workflow for robust alignment and simplified quantitative analysis of NMR spectrometry data
por: Vu, Trung N, et al.
Publicado: (2011)

A primer to frequent itemset mining for bioinformatics
por: Naulaerts, Stefan, et al.
Publicado: (2015)

Compound Characterization and Metabolic Profile Elucidation after In Vitro Gastrointestinal and Hepatic Biotransformation of an Herniaria hirsuta Extract Using Unbiased Dynamic Metabolomic Data Analysis
por: Peeters, Laura, et al.
Publicado: (2020)

MESSAR: Automated recommendation of metabolite substructures from tandem mass spectra
por: Liu, Youzhong, et al.
Publicado: (2020)

Mining the human proteome for conserved mechanisms
por: Naulaerts, Stefan, et al.
Publicado: (2015)

Predicting compound-protein interaction using hierarchical graph convolutional networks
por: Bui-Thi, Danh, et al.
Publicado: (2022)

Mining the entire Protein DataBank for frequent spatially cohesive amino acid patterns
por: Meysman, Pieter, et al.
Publicado: (2015)

Unravelling associations between unassigned mass spectrometry peaks with frequent itemset mining techniques
por: Vu, Trung Nghia, et al.
Publicado: (2014)

Protein–RNA specificity by high-throughput principal component analysis of NMR spectra
por: Collins, Katherine M., et al.
Publicado: (2015)

Grasping frequent subgraph mining for bioinformatics applications
por: Mrzic, Aida, et al.
Publicado: (2018)

Structural Properties of Prokaryotic Promoter Regions Correlate with Functional Features
por: Meysman, Pieter, et al.
Publicado: (2014)

HLA-DRB1 Alleles Associated with Lower Leishmaniasis Susceptibility Share Common Amino Acid Polymorphisms and Epitope Binding Repertoires
por: de Vrij, Nicky, et al.
Publicado: (2021)

Detection of Enriched T Cell Epitope Specificity in Full T Cell Receptor Sequence Repertoires
por: Gielis, Sofie, et al.
Publicado: (2019)

Plasma donor-derived cell-free DNA kinetics after kidney transplantation using a single tube multiplex PCR assay
por: Gielis, Els M., et al.
Publicado: (2018)

Multiplexed Spliced-Leader Sequencing: A high-throughput, selective method for RNA-seq in Trypanosomatids
por: Cuypers, Bart, et al.
Publicado: (2017)

Practical Approaches for Mining Frequent Patterns in Molecular Datasets
por: Naulaerts, Stefan, et al.
Publicado: (2016)

NMR metabolite quantification of a synthetic urine sample: an inter-laboratory comparison of processing workflows
por: Canlet, Cécile, et al.
Publicado: (2023)

RTExtract: time-series NMR spectra quantification based on 3D surface ridge tracking
por: Wu, Yue, et al.
Publicado: (2020)

Isoform-level quantification for single-cell RNA sequencing
por: Pan, Lu, et al.
Publicado: (2021)

Use of structural DNA properties for the prediction of transcription-factor binding sites in Escherichia coli
por: Meysman, Pieter, et al.
Publicado: (2011)

SPA-STOCSY: An Automated Tool for Identification of Annotated and Non-Annotated Metabolites in High-Throughput NMR Spectra
por: Han, Xu, et al.
Publicado: (2023)

SPA-STOCSY: an automated tool for identifying annotated and non-annotated metabolites in high-throughput NMR spectra
por: Han, Xu, et al.
Publicado: (2023)

Extremely fast and accurate open modification spectral library searching of high-resolution mass spectra using feature hashing and graphics processing units
por: Bittremieux, Wout, et al.
Publicado: (2019)

NMR--from spectra to structures : an experimental approach /
por: Mitchell, Terence N.
Publicado: (2004)

The Absence of C-5 DNA Methylation in Leishmania donovani Allows DNA Enrichment from Complex Samples
por: Cuypers, Bart, et al.
Publicado: (2020)

Multi-View Learning to Unravel the Different Levels Underlying Hepatitis B Vaccine Response
por: Affaticati, Fabio, et al.
Publicado: (2023)

Quantification of High-Resolution (1)H-[(13)C] NMR Spectra from Rat Brain Extracts
por: de Graaf, Robin A., et al.
Publicado: (2014)

Structure of high-resolution NMR spectra
por: Corio, PL
Publicado: (2012)

Bayesian Peak Picking for NMR Spectra
por: Cheng, Yichen, et al.
Publicado: (2014)

Quantification of mutant–allele expression at isoform level in cancer from RNA-seq data
por: Deng, Wenjiang, et al.
Publicado: (2022)

Higher throughput workflow with sensitive, reliable and automatic quantification of myelination in vitro suitable for drug screening
por: Seiler, Sybille, et al.
Publicado: (2023)

Current challenges for unseen-epitope TCR interaction prediction and a new perspective derived from image classification
por: Moris, Pieter, et al.
Publicado: (2020)

NMR-TS: de novo molecule identification from NMR spectra
por: Zhang, Jinzhe, et al.
Publicado: (2020)

Handbook of proton-NMR spectra and data: index
por: Asahi Research Center Co, Ltd
Publicado: (2013)

Classical and quantum molecular dynamics in NMR spectra
por: Szymański, Sławomir, et al.
Publicado: (2018)

rNMR: open source software for identifying and quantifying metabolites in NMR spectra
por: Lewis, Ian A, et al.
Publicado: (2009)

High-throughput computation and evaluation of raman spectra
por: Liang, Qiaohao, et al.
Publicado: (2019)

Cannot write session to /tmp/vufind_sessions/sess_l1m7eji33uob5r5bsmfb3pm2id