BBBP
Benchmarks
| Task Name | Dataset Name | SOTA Result | Trend | |
|---|---|---|---|---|
| Graph property prediction | BBBP | ROC-AUC88.75 | 87 | |
| Molecular property prediction | BBBP (test) | ROC-AUC0.92 | 64 | |
| Molecular property prediction | BBBP | ROC AUC0.968 | 48 | |
| Binary Graph Classification | BBBP (test) | AUC-ROC0.769 | 22 | |
| Classification | BBBP | ROC-AUC0.748 | 20 | |
| Graph-level molecular classification | BBBP | MCC0.84 | 18 | |
| Molecular property prediction | BBBP 50-shot (test) | ROC AUC0.581 | 15 | |
| Molecular prediction | BBBP 100-shot (test) | ROC-AUC56.97 | 15 | |
| Single-property molecular optimization | BBBP | Success Rate (SR)99.73 | 14 | |
| Property-Specific Molecule Generation | BBBP | SA Score2.44 | 9 | |
| Graph Classification | BBBP | ROC-AUC73.15 | 8 | |
| Graph Edit Distance Approximation | BBBP | Inference Time (ms)1.5 | 8 | |
| Counterfactual Explanation | BBBP (test) | Validity81.51 | 7 | |
| Counterfactual Explanation | BBBP | Validity81.51 | 7 | |
| GNN Explanation | BBBP | H-Fidelity56.1 | 6 | |
| Graph Classification | BBBP (test) | MCC0.835 | 4 | |
| Graph Explanation Fidelity | BBBP (test) | Time0.14 | 3 | |
| Model-level counterfactual explanation | BBBP | Validity1.17 | 3 | |
| Molecular Property Classification | BBBP GROVER (test) | ROC AUC94.5 | 3 | |
| Graph Explanation | BBBP | Class 0 Coverage47.86 | 2 | |
| Graph Classification Explanation | BBBP (test) | Weighted Precision92.1 | 2 | |
| Graph Classification Explanation | BBBP | Weighted Recall85.32 | 2 | |
| Graph Classification Explanation | BBBP | Weighted F192.11 | 2 | |
| Graph Explanation Generation | BBBP | Stability60 | 2 |
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