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Charting the small-molecule universe from mass spectra with neuro-symbolic AI

2026-08-06

Abstract excerpt

Mass spectrometry (MS) has revealed millions of small organic molecules across organisms, yet most remain uncharacterized, limiting progress in biology and medicine. Despite computational advances, MS workflows rely heavily on expert input and reference libraries that cover only a fraction of known chemical space. Here, we introduce AIMe (AI Molecule Explorer), a multi-agent neuro-symbolic AI framework that transf...

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Literature Corpus work
0d2df620-5a4f-5f7c-b49c-0b8e94506ee7
DOI
10.64898/2026.08.05.743095
Open publication

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