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Table 4 Numbers of test-set molecule-pairs predicted correctly using t LR and t ROC

From: The use of 2D fingerprint methods to support the assessment of structural similarity in orphan drug legislation

Fingerprint

t LR

t ROC

BCI

97

97

Daylight

97

98

ECFP4

96

97

ECFC4

71

71

MDL

92

92

Unity

97

97

Consensus

98

98