Guide to metabolomics analysis: a bioinformatics workflow

Y Chen, EM Li, LY Xu - Metabolites, 2022 - mdpi.com
Metabolomics is an emerging field that quantifies numerous metabolites systematically. The
key purpose of metabolomics is to identify the metabolites corresponding to each biological …

Guiding the choice of informatics software and tools for lipidomics research applications

Z Ni, M Wölk, G Jukes, K Mendivelso Espinosa… - Nature …, 2023 - nature.com
Progress in mass spectrometry lipidomics has led to a rapid proliferation of studies across
biology and biomedicine. These generate extremely large raw datasets requiring …

Missing value imputation approach for mass spectrometry-based metabolomics data

R Wei, J Wang, M Su, E Jia, S Chen, T Chen, Y Ni - Scientific reports, 2018 - nature.com
Missing values exist widely in mass-spectrometry (MS) based metabolomics data. Various
methods have been applied for handling missing values, but the selection can significantly …

metaX: a flexible and comprehensive software for processing metabolomics data

B Wen, Z Mei, C Zeng, S Liu - BMC bioinformatics, 2017 - Springer
Background Non-targeted metabolomics based on mass spectrometry enables high-
throughput profiling of the metabolites in a biological sample. The large amount of data …

A tutorial review: Metabolomics and partial least squares-discriminant analysis–a marriage of convenience or a shotgun wedding

PS Gromski, H Muhamadali, DI Ellis, Y Xu, E Correa… - Analytica chimica …, 2015 - Elsevier
The predominance of partial least squares-discriminant analysis (PLS-DA) used to analyze
metabolomics datasets (indeed, it is the most well-known tool to perform classification and …

Nutrimetabolomics: an integrative action for metabolomic analyses in human nutritional studies

MM Ulaszewska, CH Weinert… - Molecular nutrition & …, 2019 - Wiley Online Library
The life sciences are currently being transformed by an unprecedented wave of
developments in molecular analysis, which include important advances in instrumental …

Use of metabolomics in improving assessment of dietary intake

M Guasch-Ferré, SN Bhupathiraju, FB Hu - Clinical chemistry, 2018 - academic.oup.com
BACKGROUND Nutritional metabolomics is rapidly evolving to integrate nutrition with
complex metabolomics data to discover new biomarkers of nutritional exposure and status …

Non-targeted UHPLC-MS metabolomic data processing methods: a comparative investigation of normalisation, missing value imputation, transformation and scaling

R Di Guida, J Engel, JW Allwood, RJM Weber… - Metabolomics, 2016 - Springer
Introduction The generic metabolomics data processing workflow is constructed with a serial
set of processes including peak picking, quality assurance, normalisation, missing value …

Navigating freely-available software tools for metabolomics analysis

R Spicer, RM Salek, P Moreno, D Cañueto… - Metabolomics, 2017 - Springer
Introduction The field of metabolomics has expanded greatly over the past two decades,
both as an experimental science with applications in many areas, as well as in regards to …

[HTML][HTML] Missing value imputation affects the performance of machine learning: A review and analysis of the literature (2010–2021)

MK Hasan, MA Alam, S Roy, A Dutta, MT Jawad… - Informatics in Medicine …, 2021 - Elsevier
Recently, numerous studies have been conducted on Missing Value Imputation (MVI),
intending the primary solution scheme for the datasets containing one or more missing …