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Table 4 Results summary for additional Category 3 entries

From: Critical Assessment of Small Molecule Identification 2016: automated methods

 

Allen

Kind

Ruttkies

 

CFM orig +DB

CFMretrain+DB

MS-FINDER+MD

MetFrag+RT+Refs*

MetFrag+CFM+RT+Refs*

MetFrag+CFM+RT+Refs+MoNA*

Top 1

117

120

146

162

163

155

Top 3

159

160

162

183

180

182

Top 10

182

182

174

191

199

194

Mean rank

14

13.62

6.4

7.04

5.39

4.25

Median rank

1

1

1

1

1

1

Mean RRP

0.969

0.971

0.904

0.987

0.989

0.990

Median RRP

1

1

1

1

1

1

Gold

124

128

148

168

174

167

Formula 1

3798

3861

4011

4469

4509

4437

Medal score

687

700

766

855

856

840

Q_10

1

1

1

1

1

1

Q_25

1

1

1

1

1

1

Q_50

1

1

1

1

1

1

Q_75

3

3

2

1

1

2

Q_90

13.7

14.0

15.0

5.0

5.0

4.3

  1. The column header of entries used in Table 2 are given in italics. The best value per statistic is marked in bold. * Indicates internal and post-competition submissions. Q_X indicates Xth quantile