Open access
Aug 2026
From known chemical space to unannotated metabolites: a cluster-guided retention-time driven framework for biologically informed annotation
A two-step analytical approach was developed to systematically prioritize and interpret unannotated metabolites using plasma LC–MS/MS data from pregnant women with obesity as a biologically relevant test dataset, providing a scalable framework for prioritizing dark matter metabolites in untargeted metabolomics.
Dipendra Bhandari, H. Paz, Keith Henderson et al.
· Metabolomics · 0 citations