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 …

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 …

Diverse forms of unwanted signal variations in mass spectrometry-based metabolomics data
adversely affect the accuracies of metabolic profiling. A variety of normalization methods …

Label-free quantification (LFQ) with a specific and sequentially integrated workflow of
acquisition technique, quantification tool and processing method has emerged as the …

Abstract 1 H NMR spectra from urine can yield information-rich data sets that offer important
insights into many biological and biochemical phenomena. However, the quality and utility …

Milk is a foodstuff widely consumed around the world originating from a variety of different
species, animal management and production systems. In recent years, consumers have …

Plants release a set of chemical compounds, called exudates, into the rhizosphere, under
normal conditions and in response to environmental stimuli and surrounding soil organisms …

Individual variations in drug efficacy, side effects and adverse drug reactions are still
challenging that cannot be ignored in drug research and development. The aim of …

Multiclass metabolomic studies have become popular for revealing the differences in
multiple stages of complex diseases, various lifestyles, or the effects of specific treatments. In …

Thousands of articles using metabolomics approaches are published every year. With the
increasing amounts of data being produced, mere description of investigations as text in …