Datasets › BBBP (Blood-Brain Barrier Penetration)
BBBP (Blood-Brain Barrier Penetration)
The BBBP dataset comes from a study focused on modeling and predicting the permeability of the blood-brain barrier. The BBBP dataset contains binary labels indicating whether a compound can penetrate the blood-brain barrier (BBB) or not. Researchers use this dataset to develop and evaluate machine learning methods for predicting BBB permeability. It’s a critical task because understanding which compounds can cross the BBB is essential for drug discovery and designing therapeutics for neurological conditions.
Check https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8708321/
Benchmarks archive 2025-07-28
All 5 leaderboards whose dataset resolves to this page shown (sort by any header). "First row" is the archive's own first row at snapshot, in the archive's row order; nothing here re-ranks and metric direction is not asserted.
| First row (archive order) | Paper | Code | ||||
|---|---|---|---|---|---|---|
| Molecular Property Prediction | BBBP | DumplingGNN ROC-AUC 96.4 | Dumpling GNN: Hybrid GNN Enables Better ADC Payload... | — | 29 | Compare |
| Drug Discovery | BBBP | ProtoW-L2 AUC 0.92 | Optimal Transport Graph Neural Networks | benatorc/OTGNN +1 | 4 | Compare |
| Graph Classification | BBBP | G-Tuning ROC-AUC 72.59 | Fine-tuning Graph Neural Networks by Preserving Graph... | zjunet/G-Tuning | 3 | Compare |
| Drug Discovery | BBBP (Blood-Brain Barrier Penetration) | GLAM AUC 0.932 | An adaptive graph learning method for automated... | yvquanli/GLAM | 1 | Compare |
| Explanation Fidelity Evaluation | BBBP | GCN fidelity 0.489 | SAME: Uncovering GNN Black Box with Structure-aware... | same2023neurips/same | 1 | Compare |
Papers archive 2025-07-28
27 shown of 27 papers with a leaderboard row on this dataset's benchmarks, newest first. The archive's own "papers using this dataset" list was never published, so this is the benchmark-backed subset; the archive's count for this dataset is 28. The Syntology column is from Syntology's graph (read 2026-09-24), stated per sample; it is not part of any archive number.
Dataset loaders archive 2025-07-28
1 loader as listed in the archive; links are outbound and not re-checked here.
Tasks archive 2025-07-28
License archive 2025-07-28
No licence recorded in the archive. Absence here is not a statement about the dataset's terms.
Modalities archive 2025-07-28
No modality tagged.
Languages archive 2025-07-28
No language tagged.
Variants archive 2025-07-28
- BBBP
- BBBP (Blood-Brain Barrier Penetration)
2 variant names, as the archive lists them.
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