Mass spectrometry-based metabolomics approaches can enable detection and
quantification of many thousands of metabolite features simultaneously. However …

Bile acids regulate nutrient absorption and mitochondrial function, they establish and
maintain gut microbial community composition and mediate inflammation, and they serve as …

MetaboLights is a global database for metabolomics studies including the raw experimental
data and the associated metadata. The database is cross-species and cross-technique and …

Determining the structure and phenotypic context of molecules detected in untargeted
metabolomics experiments remains challenging. Here we present reverse metabolomics as …

Developments in computational omics technologies have provided new means to access
the hidden diversity of natural products, unearthing new potential for drug discovery. In …

Abstract Global Natural Product Social Molecular Networking (GNPS) is an interactive online
small molecule–focused tandem mass spectrometry (MS2) data curation and analysis …

Abstract microbeMASST, a taxonomically informed mass spectrometry (MS) search tool,
tackles limited microbial metabolite annotation in untargeted metabolomics experiments …

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

The repertoire of modifications to bile acids and related steroidal lipids by host and microbial
metabolism remains incompletely characterized. To address this knowledge gap, we …

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