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Molecular Property Prediction on Tox21
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80.23
ROC AUC
ChemATP
55.9148
62.2274
68.54
74.8526
May 22, 2022
Dec 26, 2022
Aug 1, 2023
Mar 7, 2024
Oct 11, 2024
May 17, 2025
Dec 22, 2025
ROC AUC
Updated 4d ago
Evaluation Results
Method
Method
Links
ROC AUC
ChemATP
2025.12
80.23
UniMol
2025.12
79.6
AttrMasking
Pre-training dataset=Z...
2022.05
76.7
GraphMVP
2025.12
75.9
ContextPred
Pre-training dataset=Z...
2022.05
75.7
GraphLoG
Pre-training dataset=Z...
2022.05
75.7
MoMu
2025.12
75.6
GraphMAE
Pre-training dataset=Z...
2022.05
75.5
Infomax
Pre-training dataset=Z...
2022.05
75.3
JOAO
Pre-training dataset=Z...
2022.05
75
LLM4SD
2025.12
74.7
InstructMol
2025.12
74.7
No-pretrain
Pre-training dataset=N...
2022.05
74.3
GraphCL
Pre-training dataset=Z...
2022.05
73.9
MolRAG
2025.12
66.42
CoT
Prompting Strategy=Cha...
2025.12
59.58
DA
Prompting Strategy=Dir...
2025.12
56.85
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