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Molecular Property Prediction on Lipophilicity (scaffold)
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0.6
RMSE
KPGT
0.5796
0.7173
0.855
0.9927
Apr 10, 2023
RMSE
Updated 4d ago
Evaluation Results
Method
Method
Links
RMSE
KPGT
Split=scaffold
2023.04
0.6
MolCLR
Split=scaffold
2023.04
0.65
GEM
Split=scaffold
2023.04
0.66
GraphMVP-C
Split=scaffold
2023.04
0.681
D-MPNN
Split=scaffold
2023.04
0.683
SELFormer
Split=scaffold
2023.04
0.735
Hu et al.
Split=scaffold
2023.04
0.74
GCN
Split=scaffold
2023.04
0.85
GIN
Split=scaffold
2023.04
0.85
SchNet
Split=scaffold
2023.04
0.91
ChemBERTa-2
Split=scaffold
2023.04
0.986
MGCN
Split=scaffold
2023.04
1.11
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