19 citations · 43 across the 4 of their papers we have counts for
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q-bio.QM2024★ 7 cited
MassSpecGym: A benchmark for the discovery and identification of molecules
Roman Bushuiev, Anton Bushuiev, Niek F. de Jonge +27
The discovery and identification of molecules in biological and environmental samples is crucial for advancing biomedical and chemical sciences. Tandem mass spectrometry (MS/MS) is…
cs.LG2024★ 8 cited
FraGNNet: A Deep Probabilistic Model for Tandem Mass Spectrum Prediction
Adamo Young, Fei Wang, David S Wishart +3
Compound identification from tandem mass spectrometry (MS/MS) data is a critical step in the analysis of complex mixtures. Typical solutions for the MS/MS spectrum to compound (MS2…