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To further place the performance of the combined approach in context, we computed the top- k accuracy and Tc between top-ranked candidate and the held-out molecule when ranking structures solely on the basis of the dot-product between predicted and experimental MS/MS (CFM-ID alone), or solely on the basis of the DeepMet confidence score, discarding the MS/MS spectra altogether

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In dysbiosis, altered sialidase activity might expose more or fewer Siglec-8 ligands