Researchers at Stockholm University (Sweden) recently compared three MS2-driven frameworks that skip the necessity of structural elucidation —molecular networking, conformal predictors trained directly on spectra, and revised MS2Tox models—to prioritize features linked to endocrine-disruptive activity trained on seven Tox21 nuclear-receptor assays. Evaluated on wastewater influent/effluent, the approaches flag potential endocrine-disrupting compounds , and thus assist in processing non-target screening data. LCGC International spoke to Yvonne Kreutzer, lead author of the paper that discusses the group’s research.