2 papers
cs.LG2026
SpecBridge: Bridging Mass Spectrometry and Molecular Representations via Cross-Modal Alignment
Yinkai Wang, Yan Zhou Chen, Xiaohui Chen +2
Small-molecule identification from tandem mass spectrometry (MS/MS) remains a bottleneck in untargeted settings where spectral libraries are incomplete. While deep learning offers…
cs.LG2025
MADGEN: Mass-Spec attends to De Novo Molecular generation
Yinkai Wang, Xiaohui Chen, Liping Liu +1
The annotation (assigning structural chemical identities) of MS/MS spectra remains a significant challenge due to the enormous molecular diversity in biological samples and the lim…