Rui-Xi Wang

GLACIER: Rethinking Mass Spectrum Prediction as an Object Detection Problem

Rui-Xi Wang, Runzhong Wang, Connor W. Coley

Predicting tandem mass spectra (MS/MS) from molecular structures represents a central task in analytical chemistry with direct relevance to clinical metabolomics, systems biology, and adjacent disciplines. In this work, we revisit the problem through the lens of object detection…Read more