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doi: 10.1016/S1011-1344(97)00114-0 244 DovratAWeinrebO

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d , Top-1 accuracy with which the complete chemical structures of held-out metabolites were assigned by the combination of DeepMet with CFM-ID in the Agilent MS/MS library for negative ion mode spectra, as compared to a series of baseline approaches, including ranking structures based on the sampling frequency alone (DeepMet alone), based on the dot-product between predicted and experimental spectra (CFM-ID alone), or the combination of CFM-ID with two baseline approaches, AddCarbon or searching within the training set

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