SPHERE-MS: Hybrid Fragment–Vocabulary Modeling for Accurate and Efficient Tandem Mass Spectra Prediction
Abstract Identifying known compounds and elucidating unknown chemical structures from mass spectra remains a significant challenge due to the limited size of experimental reference libraries. Enhancing these libraries with predicted mass spectra through computational methods offers an opportunity to resolve unmatched s...
Yitong Guan, Doudou Lou, Dong Chen et al.
· Analytical Chemistry · 0 citations