most citedDe Novo Molecular Generation from Mass Spectra via Many-Body Enhanced Diffusion

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cs.LG2026★ 1 cited

De Novo Molecular Generation from Mass Spectra via Many-Body Enhanced Diffusion

Xichen Sun, Wentao Wei, Jiahua Rao +2

Molecular structure generation from mass spectrometry is fundamental for understanding cellular metabolism and discovering novel compounds. Although tandem mass spectrometry (MS/MS…