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Molecular Property Prediction on SIDER

0.7179ROC AUCChemATP
0.4829640.5439570.604950.665943May 22, 2022Jan 22, 2023Sep 25, 2023May 28, 2024Jan 28, 2025Oct 1, 2025Jun 4, 2026

Evaluation results

MethodLinks
ChemATP2025.120.7179
UniMol2025.120.659
Uni-MolPre-training status=W. pre-training2026.020.659
LLM4SD2025.120.654
CHCLModel=CHCL2026.040.6428
GraphMVP2025.120.639
DAPrompting Strategy=Direct Answer2025.120.6371
AD-GCLModel=AD-GCL2026.040.6328
CoTPrompting Strategy=Chain-of-Thought2025.120.6279
PretrainGNNPre-training status=W. pre-training2026.020.627
AutoGCLModel=AutoGCL2026.040.6251
GMCLModel=GMCL2026.040.6175
GraphLoGPre-training dataset=ZINC15, Protocol=Fine-tuning2022.050.612
AttrMaskingPre-training dataset=ZINC15, Protocol=Fine-tuning2022.050.61
AttrMaskingModel=AttrMasking2026.040.61
MolCLRGCNModel Type=Graph-based2026.060.61
ContextPredPre-training dataset=ZINC15, Protocol=Fine-tuning2022.050.609
ContextPredModel=ContextPred2026.040.609
MolCLRGINModel Type=Graph-based2026.060.607
Attentive FPPre-training status=W/o. pre-training2026.020.606
GraphCLModel=GraphCL2026.040.6053
GraphCLPre-training dataset=ZINC15, Protocol=Fine-tuning2022.050.605
MoMu2025.120.605
EdgePredModel=EdgePred2026.040.604
GraphMAEPre-training dataset=ZINC15, Protocol=Fine-tuning2022.050.603
JOAOPre-training dataset=ZINC15, Protocol=Fine-tuning2022.050.6
JOAOModel=JOAO2026.040.5997
MolCLRCMPNNModel Type=Graph-based2026.060.597
InfomaxPre-training dataset=ZINC15, Protocol=Fine-tuning2022.050.584
InfomaxModel=Infomax2026.040.584
ChiDeKPre-training status=W/o. pre-training2026.020.583
GROVERModel Type=Graph-based2026.060.582
InstructMol2025.120.578
No PretrainModel=No Pretrain2026.040.573
No-pretrainPre-training dataset=None, Protocol=Supervised2022.050.572
D-MPNNPre-training status=W/o. pre-training2026.020.57
GPT-4oStrategy=+MOLE-RAG2026.060.566
MGCNModel Type=Graph-based2026.060.552
SchNetModel Type=Graph-based2026.060.545
ChemDFM14BStrategy=+MOLE-RAG2026.060.539
GPT-4o-miniStrategy=+MOLE-RAG2026.060.535
Qwen34B-InstStrategy=+MOLE-RAG2026.060.528
GPT-4o-miniStrategy=Baseline2026.060.516
GPT-4oStrategy=Baseline2026.060.516
Qwen34B-InstStrategy=Baseline2026.060.511
Mistral7B-InstStrategy=+MOLE-RAG2026.060.508
Mistral7B-InstStrategy=Baseline2026.060.504
Llama3.2-3BStrategy=+MOLE-RAG2026.060.503
Llama3.2-3BStrategy=Baseline2026.060.499
ChemDFM14BStrategy=Baseline2026.060.492