26 citations · 26 across the 2 of their papers we have counts for
2 papers
q-bio.BM2023
Decoding the Molecular Universe -- Workshop Report
Thomas O. Metz, Joshua N. Adkins, Peter B. Armentrout +30
On August 9-10, 2023, a workshop was convened at the Pacific Northwest National Laboratory (PNNL) in Richland, WA that brought together a group of internationally recognized expert…
cs.LG2023★ 26 cited
Efficiently predicting high resolution mass spectra with graph neural networks
Michael Murphy, Stefanie Jegelka, Ernest Fraenkel +3
Identifying a small molecule from its mass spectrum is the primary open problem in computational metabolomics. This is typically cast as information retrieval: an unknown spectrum…