Metabolomics comprises the methods and techniques that are used to measure the small
molecule composition of biofluids and tissues, and is actually one of the most rapidly …

Data pre-processing is an essential part of chemometric data analysis, which aims to
remove unwanted variation (such as instrumental artifacts) and thereby focusing on the …

Metabolomics is the discipline where endogenous and exogenous metabolites are
assessed, identified and quantified in different biological samples. Metabolites are crucial …

In the last twenty years, the life sciences have seen a dramatic increase in the size and
number of data sets. Simple sensing devices in many cases offer real-time data streaming …

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 …

Metabolomics is playing an increasingly important role in plant science. It aims at the
comprehensive analysis of the plant metabolome which consists both of primary and …

The Interval Correlation Optimised Shifting algorithm (icoshift) has recently been introduced
for the alignment of nuclear magnetic resonance spectra. The method is based on an …

Metabolomics is the study of metabolites present in biological samples such as biofluids,
tissue/cellular extracts and culture media. Measurement of these metabolites is achieved …

One of the most significant challenges in the comparative analysis of Nuclear Magnetic
Resonance (NMR) metabolome profiles is the occurrence of shifts between peaks across …

Nuclear magnetic resonance (NMR) spectroscopy allows for simultaneous detection of a
wide range of metabolites and lipids. As metabolites act together in complex metabolic …