Table 1 Median cosine similarity of spectral predictions to ground truth test spectra

From: FIORA: Local neighborhood-based prediction of compound mass spectra from single fragmentation events

 

Test split +

Test split -

MSnLib +

MSnLib -

CASMI 16 +

CASMI 16 -

CASMI 22 +

CASMI 22 -

Unique compounds

895

437

785

492

381

139

160

98

FIORA

CFM-ID

ICEBERG

0.81

0.67

0.72

0.79

0.57

-

0.65

0.48

0.58

0.61

0.41

-

0.77

0.70

0.71

0.77

0.59

-

0.29

0.38

0.36

0.32

0.29

-

FIORA-OS

0.69

0.73

0.70†

0.68†

0.72

0.78†

0.27

0.31

  1. The columns are arranged according to the test sets and precursor ion modes (positive and negative), with the best-performing model highlighted in bold. ICEBERG operates in positive ionization mode only. For more information on the test sets, please refer to the “Training and testing” section. The FIORA open source (OS) version is separated from the direct comparison. The † symbol indicates whenever FIORA-OS outperforms all other software.
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