Background: Global or untargeted metabolomics is widely used to comprehensively
investigate metabolic profiles under various pathophysiological conditions such as …

Background Bioinformatic tools for the enrichment of 'omics' datasets facilitate interpretation
and understanding of data. To date few are suitable for metabolomics datasets. The main …

Mass spectrometry-based metabolome profiling became the method of choice in systems
biology approaches and aims to enhance biological understanding of complex biological …

A central aim in the evaluation of non-targeted metabolomics data is the detection of
intensity patterns that differ between experimental conditions as well as the identification of …

Large-scale and long-term metabolomic studies have attracted widespread attention in the
biomedical studies yet remain challenging despite recent technique progresses. In …

Background Untargeted metabolomics approaches based on mass spectrometry obtain
comprehensive profiles of complex biological samples. However, on average only 10% of …

Liquid chromatography–mass spectrometry (LC–MS)-based untargeted metabolomics is
constantly challenged by large-scale and unambiguous metabolite annotation in complex …

In untargeted metabolomics, conventional data preprocessing software (eg, XCMS, MZmine
2, MS-DIAL) are used extensively due to their high efficiency in metabolic feature extraction …

Bioinformatic tools are required to carry out essential functions such as statistical analyses
and database functionalities. Now, they are also needed for one of the most difficult tasks …

Motivation: The study of metabolites (metabolomics) is increasingly being applied to
investigate microbial, plant, environmental and mammalian systems. One of the limiting …