BBBP
Benchmarks
| Task Name | Dataset Name | SOTA Result | Trend | |
|---|---|---|---|---|
| Molecular property prediction | BBBP (test) | ROC-AUC0.92 | 94 | |
| Graph property prediction | BBBP | ROC-AUC88.75 | 87 | |
| Molecular property prediction | BBBP | ROC AUC0.968 | 59 | |
| Molecular property prediction | BBBP 50-shot (test) | ROC AUC0.581 | 40 | |
| Classification | BBBP | ROC-AUC0.937 | 39 | |
| Subgraph Importance Estimation | bbbp (test) | Fidelity F111.5 | 32 | |
| Molecular prediction | BBBP full-shot (test) | ROC-AUC70.18 | 25 | |
| Binary Graph Classification | BBBP (test) | AUC-ROC0.769 | 22 | |
| Surrogate detection under model extraction attack | BBBP | AUC100 | 20 | |
| Graph Classification | BBBP | ROC-AUC73.15 | 18 | |
| Graph-level molecular classification | BBBP | MCC0.84 | 18 | |
| Classification | BBBP random 6:2:2 (test) | ROC-AUC89.46 | 17 | |
| Molecular prediction | BBBP 100-shot (test) | ROC-AUC56.97 | 15 | |
| Single-property molecular optimization | BBBP | Success Rate (SR)99.73 | 14 | |
| Graph Classification | BBBP (MoleculeNet) scaffold-split (test) | AUROC (%)74.08 | 12 | |
| Property-Specific Molecule Generation | BBBP | SA Score2.44 | 9 | |
| Graph Edit Distance Approximation | BBBP | Inference Time (ms)1.5 | 8 | |
| Counterfactual Explanation | BBBP (test) | Validity81.51 | 7 | |
| Counterfactual Explanation | BBBP | Validity81.51 | 7 | |
| Drug discovery classification | BBBP | Accuracy@0.593 | 6 | |
| GNN Explanation | BBBP | H-Fidelity56.1 | 6 | |
| Molecular Property Classification | BBBP | Delta ID-Churn0.6 | 5 | |
| Distributional disagreement (sym-KL) | BBBP (id-test) | Delta Sym-KL Divergence-0.46 | 5 | |
| Graph Classification | BBBP (test) | MCC0.835 | 4 | |
| Top-K ranking stability | BBBP id (test) | Jaccard Similarity64 | 3 |
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