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20202026
most citedMachine learning modeling of family wide enzyme-substrate specificity screens

124 citations · 266 across the 8 of their papers we have counts for

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q-bio.QM2026

Generative structural elucidation from mass spectra as an iterative optimization problem

Mrunali Manjrekar, Runzhong Wang, Samuel Goldman +2

Liquid chromatography tandem mass spectrometry (LC-MS/MS) is a critical analytical technique for molecular identification across metabolomics, environmental chemistry, and chemical…