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10.1021/jf502486q J

For each reference MS/MS spectrum in the test set, candidates were retrieved from the database of generated metabolites produced by DeepMet (again with molecules from the training set removed as described above), and a final score was assigned to each candidate structure by multiplying the confidence scores assigned by the language model on the basis of the precursor m / z by the dot-product between the predicted and experimental MS/MS spectra

The first component, HGH Fragment 176-191, is a stabilised segment of the growth hormone molecule specifically responsible for breaking down fat

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By quantitatively varying attributes, all residues could be considered as allosteric residues because each residue senses the allosteric events. These maps could serve as fingerprints of allosteric consequences upon residue perturbation

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