3 papers
q-bio.QM2024
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
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…
physics.chem-ph2023
Stability of nucleic acid bases in concentrated sulfuric acid: Implications for the habitability of Venus' clouds
Sara Seager, Janusz J. Petkowski, Maxwell D. Seager +10
What constitutes a habitable planet is a frontier to be explored and requires pushing the boundaries of our terracentric viewpoint for what we deem to be a habitable environment. D…