Molecular Property Prediction On Toxcast 1
评估指标
ROC-AUC
评测结果
各个模型在此基准测试上的表现结果
模型名称 | ROC-AUC | Paper Title | Repository |
|---|---|---|---|
| ChemRL-GEM | 69.2 | ChemRL-GEM: Geometry Enhanced Molecular Representation Learning for Property Prediction | - |
| Uni-Mol | 69.6 | Uni-Mol: A Universal 3D Molecular Representation Learning Framework | |
| PretrainGNN | 65.7 | Strategies for Pre-training Graph Neural Networks | - |
| GROVER (large) | 65.3 | Self-Supervised Graph Transformer on Large-Scale Molecular Data | - |
| S-CGIB | 70.95±0.27 | Pre-training Graph Neural Networks on Molecules by Using Subgraph-Conditioned Graph Information Bottleneck | |
| DumplingGNN | 78.2 | Dumpling GNN: Hybrid GNN Enables Better ADC Payload Activity Prediction Based on Chemical Structure | - |
| D-MPNN | 65.5 | Analyzing Learned Molecular Representations for Property Prediction | - |
| GROVER (base) | 65.4 | Self-Supervised Graph Transformer on Large-Scale Molecular Data | - |
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