Metabolomics has advanced significantly in the past 10 years with important developments
related to hardware, software and methodologies and an increasing complexity of …

This review focuses on recent and potential advances in chemometric methods in relation to
data processing in metabolomics, especially for data generated from mass spectrometric …

Advances in mass spectrometry (MS) and data processing have led to discoveries in
regulation of cellular metabolism by using metabolomics and lipidomics approaches. 1, 2 …

Targeted detection is one of the most important methods in mass spectrometry (MS)-based
metabolomics; however, its major limitation is the reduced metabolome coverage that results …

Metabolomics is the comprehensive profiling of the small molecule composition of a
biological sample. Since metabolites are often the indirect products of gene expression, this …

In the past decade, advances in liquid chromatography‐mass spectrometry (LC‐MS) have
revolutionized untargeted metabolomics analyses. By mining metabolomes more deeply …

Abstract Analysis of large metabolomic datasets is becoming commonplace with the
increased realization of the role that metabolites play in biology and pathophysiology. While …

Metabolite identification is still considered an imposing bottleneck in liquid chromatography
mass spectrometry (LC/MS) untargeted metabolomics. The identification workflow usually …

Advancements in computer science and software engineering have greatly facilitated mass
spectrometry (MS)-based untargeted metabolomics. Nowadays, gigabytes of metabolomics …

The computational metabolomics field brings together computer scientists, bioinformaticians,
chemists, clinicians, and biologists to maximize the impact of metabolomics across a wide …