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20182025
most citedChemical Structure Elucidation from Mass Spectrometry by Matching Substructures

5 citations · 6 across the 3 of their papers we have counts for

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cs.LG2025

One Small Step with Fingerprints, One Giant Leap for De Novo Molecule Generation from Mass Spectra

Neng Kai Nigel Neo, Lim Jing, Ngoui Yong Zhau Preston +2

A common approach to the de novo molecular generation problem from mass spectra involves a two-stage pipeline: (1) encoding mass spectra into molecular fingerprints, followed by (2…