BioinformaticsbioRxivPreprint
Chemistry-based vectors map the chemical space of natural biomes from untargeted mass spectrometry data
Pilleriin Peets, Aristeidis Litos, Kai Dührkop…·Bas E. Dutilh
The paper uses chemistry-based vectors to analyze untargeted mass spectrometry data and identifies compound classes that differentiate natural biomes.
DOI 10.1101/2025.01.22.634253