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Binary Classification on MoleculeNet Tox21 DeepChem (test)
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81.8
ROC AUC
SVM
68.384
71.867
75.35
78.833
Jun 17, 2021
ROC AUC
Updated 4d ago
Evaluation Results
Method
Method
Links
ROC AUC
SVM
Backbone=SVM
2021.06
81.8
MolCLR
Backbone=GNN, Pre-trai...
2021.06
79.8
DMP_TF+GNN
Backbone=Transformer +...
2021.06
79.1
DMP_TF (100M)
Backbone=Transformer,...
2021.06
79
DMP_TF
Backbone=Transformer,...
2021.06
78.8
Hu et al.
Backbone=GNN, Pre-trai...
2021.06
78.7
TF (MLM) + GNN (MLM)
Backbone=Transformer +...
2021.06
77.8
TF (MLM)
Backbone=Transformer,...
2021.06
77.6
DMP_GNN (100M)
Backbone=GNN, Pre-trai...
2021.06
77.5
TF (x2)
Backbone=Dual Transformer
2021.06
77.1
RF
Backbone=Random Forest
2021.06
76.9
DMP_GNN
Backbone=GNN, Pre-trai...
2021.06
76.7
DMP_TF w/o MLM
Backbone=Transformer,...
2021.06
75.7
GNN (x2)
Backbone=Dual GNN
2021.06
75.1
GNN (MLM)
Backbone=GNN
2021.06
74.8
MGCN
Backbone=MGCN
2021.06
70.7
D-MPNN
Backbone=D-MPNN
2021.06
68.9
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