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Table 4 The top-1, top-2, top-3 accuracy, AUC and MCC of the WLN model compared with others in the test set

From: In silico prediction of UGT-mediated metabolism in drug-like molecules via graph neural network

Accuracy

Top-1

Top-2

Top-3

AUC

MCC

Our work

0.898

1.000

1.000

0.995

0.844

Cai’s work

0.719

0.797

0.814

0.874

0.558

SOMP

0.814

0.950

0.967

–

–

XenoSite

0.864

1.000

1.000

0.996

0.842

FAME3

0.814

0.898

0.932

0.977

0.645