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In contrast to -glutamylcysteine synthetase, glutathione synthetase accepts a large variety of glutamyl-modified analogs of -glutamylcysteine, but is much more specific for cysteine-modified analogs of -glutamylcysteine

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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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