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Benchmarks
Molecular Toxicity Classification on MoleculeNet
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95.6
Clintox Accuracy
DMP(TF+GNN)
72.408
78.429
84.45
90.471
Nov 27, 2023
Clintox Accuracy
Tox21 Accuracy
Toxcast Accuracy
SIDER Accuracy
Updated 1mo ago
Evaluation Results
Method
Method
Links
Clintox Accuracy
Tox21 Accuracy
Toxcast Accuracy
SIDER Accuracy
DMP(TF+GNN)
Architecture=TF+GNN
2023.11
95.6
79.1
-
69.8
GROVER-large
Model size=large
2023.11
94.4
83.1
73.7
65.8
ChemBERTa2
2023.11
93.9
-
-
-
Instruct-G
2023.11
93.4
77
61.9
62.2
MolCA(1D+2D)
Modality=1D+2D
2023.11
89.5
77.2
64.5
-
ChemBERTa
2023.11
73.3
-
-
-
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