Table 3 The results of different consensus models in the test dataset for the substrate prediction model
From: In silico prediction of UGT-mediated metabolism in drug-like molecules via graph neural network
No | Consensus models | AUC | MCC |
|---|---|---|---|
1 | Descriptor_SVM | 0.898 | 0.682 |
Descriptor_ET | |||
MACCS_RF | |||
AttentiveFP_attentivefp | |||
Morgan_ET_1024 | |||
2 | MACCS_ET | 0.886 | 0.682 |
Descriptor_SVM | |||
MACCS_RF | |||
AttentiveFP_attentivefp | |||
3 | Descriptor_ET | 0.897 | 0.674 |
Descriptor_RF | |||
MACCS_ET | |||
MACCS_RF | |||
AttentiveFP_attentivefp | |||
Morgan_ET_1024 |