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 |