Background Precision medicine, space exploration, drug discovery to characterization of
dark chemical space of habitats and organisms, metabolomics takes a centre stage in …

Covering: up to the end of 2020 Recently introduced computational metabolome mining
tools have started to positively impact the chemical and biological interpretation of …

Abstract In October 2003, 20 years ago, the open‐source and open‐content database
NMRshiftDB was announced. Since then, the database, renamed as nmrshiftdb2 later, has …

Introduction Natural products and metabolomics are intrinsically linked through efforts to
analyze complex mixtures for compound annotation. Although most studies that aim for …

This review explores the current applications of artificial intelligence (AI) in nuclear magnetic
resonance (NMR) spectroscopy, with a particular emphasis on small molecule chemistry …

Huntington's disease (HD) is a progressive, fatal neurodegenerative disease characterized
by motor, cognitive, and psychiatric symptoms. The precise mechanisms of HD progression …

The identification of metabolites from complex biofluids and extracts of tissues is an
essential process for understanding metabolic profiles. Nuclear magnetic resonance (NMR) …

Introduction In this era of 'omics' technology in natural products studies, the complementary
aspects of mass spectrometry (MS)‐and nuclear magnetic resonance (NMR)‐based …

This paper presents a proof of concept of a method to identify substructures in 2D NMR
spectra of mixtures using a bespoke image‐based convolutional neural network application …

Abstract Syzygium malaccense (L.) Merr. & LM Perry is a native tree to Malaysia, but also
occurs in other tropical regions of the world, including Brazil. The increasing interest in the …