Microbiotas are a malleable part of ecosystems, including the human ecosystem.
Microorganisms affect not only the chemistry of their specific niche, such as the human gut …

Despite extensive evidence showing that exposure to specific chemicals can lead to
disease, current research approaches and regulatory policies fail to address the chemical …

Abstract The Human Metabolome Database or HMDB (https://hmdb. ca) has been providing
comprehensive reference information about human metabolites and their associated …

Untargeted metabolomics experiments rely on spectral libraries for structure annotation, but,
typically, only a small fraction of spectra can be matched. Previous in silico methods search …

The metabolome includes not just known but also unknown metabolites; however,
metabolite annotation remains the bottleneck in untargeted metabolomics. Ion mobility …

Liquid chromatography-mass spectrometry (LC-MS) based untargeted metabolomics allows
to measure both known and unknown metabolites in the metabolome. However, unknown …

The biogeochemical cycling of soil organic matter (SOM) plays a central role in regulating
soil health, water quality, carbon storage, and greenhouse gas emissions. Thus, many …

Abstract Background The NORMAN Association (https://www. norman-network. com/)
initiated the NORMAN Suspect List Exchange (NORMAN-SLE; https://www. norman …

Increasing production and use of chemicals and awareness of their impact on ecosystems
and humans has led to large interest for broadening the knowledge on the chemical status …

Current methods for structure elucidation of small molecules rely on finding similarity with
spectra of known compounds, but do not predict structures de novo for unknown compound …