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Molecular Property Prediction on MoleculeNet ClinTox (scaffold)

0.983ROC-AUC

Chem-GMNet

Updated 20d ago

Evaluation Results

Method	Links
Chem-GMNet 2026.05		0.983
DumplingGNN 2024.09		0.959
SYN-FUSION 2023.08		0.947
SYN-FUSION 2023.08		0.946
MolXPT 2024.09		0.919
GEM 2024.09		0.912
D-MPNN 2024.09		0.906
D-MPNN 2023.08		0.905
Uni-Mol 2024.09		0.901
MolCLR 2023.08		0.886
N-Gram XGB 2024.09		0.875
PretrainGNN 2024.09		0.875
Attentive FP 2024.09		0.832
MolCLR 2024.09		0.791
Hu et al. 2023.08		0.789
GTOT-Tuning 2022.03		0.779
N-Gram RF 2024.09		0.775
GraphMVP 2024.09		0.762
GIN 2019.05		0.737
BSS 2022.03		0.737
StochNorm 2022.03		0.732
DELTA 2022.03		0.727
Feature (DELTA w/o ATT) 2022.03		0.727
GROVER_large 2024.09		0.726
GIN 2019.05		0.726
Fine-Tuning 2022.03		0.726
GIN 2019.05		0.718
L2_SP 2022.03		0.718
RF 2023.08		0.713
GIN 2019.05		0.712
GIN 2019.05		0.709
GIN 2019.05		0.699
SVM 2023.08		0.669
GIN 2019.05		0.659
NID_CL 2024.05		0.653
GIN 2019.05		0.641
SimGRACE 2024.05		0.634
GCN 2023.08		0.625
GraphCL 2024.05		0.598
GIN 2023.08		0.58
GIN 2019.05		0.58
GIN 2019.05		0.572
JOAO 2024.05		0.541
AttrMask 2024.05		0.516
EdgePred 2024.05		0.489
ContextPred 2024.05		0.432
ChemBERTa-2 2026.05		0.349