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. 2023 Dec 4;95(50):18326–18334. doi: 10.1021/acs.analchem.3c02413

Figure 1.

Figure 1

Performance on the compound-to-mass spectrum (C2MS) task. The NPS-MS De Novo model is trained from scratch on the NPS training data set, whereas the NPS-MS model is trained via transfer learning from a CFM-ID 4.0 base model that is subsequently fine-tuned on the NPS training data set. Bars display mean scores for each metric with error bars indicating the 95% confidence interval. Left, the overall performance of each model averaged over three different collision energies (10, 20, and 40 eV). Right, the performance of each model on MS/MS spectra collected at each individual collision energy.