Table 1 The spectrum matching performance on the in-silico library

From: Ultra-fast and accurate electron ionization mass spectrum matching for compound identification with million-scale in-silico library

Method

Recall@1 (%)

Recall@10 (%)

Matching speed (s per query spectrum)

FastEI

36.7

80.4

0.0042

WCS

30.2

73.5

2.4849

FastEI + mass filtera

45.3

88.3

–

WCS + mass filtera

37.1

81.6

–

  1. aThe mass filter was set to 5 Da of the query molecule’s mass.
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