Datasets › BACE (β-secretase enzyme)
BACE (β-secretase enzyme)
The BACE dataset focuses on inhibitors of human beta-secretase 1 (BACE-1). It includes both quantitative (IC50 values) and qualitative (binary labels) binding results. The dataset comprises small molecule inhibitors across a wide range of affinities, spanning three orders of magnitude (from nanomolar to micromolar IC50 values). Specifically, it provides: 154 BACE inhibitors for affinity prediction. 20 BACE inhibitors for pose prediction. 34 BACE inhibitors for free energy prediction.
Benchmarks archive 2025-07-28
All 4 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 | BACE | MolXPT ROC-AUC 88.4 | MolXPT: Wrapping Molecules with Text for Generative Pre-training | huggingface.co/zequnl/molxpt | 20 | Compare |
| Drug Discovery | BACE | TrimNet AUC 0.878 | TrimNet: learning molecular representation from triplet... | yvquanli/TrimNet | 6 | Compare |
| Graph Classification | BACE | G-Tuning ROC-AUC 84.79 | Fine-tuning Graph Neural Networks by Preserving Graph... | zjunet/G-Tuning | 2 | Compare |
| Drug Discovery | BACE (β-secretase enzyme) | GLAM AUC 0.888 | An adaptive graph learning method for automated... | yvquanli/GLAM | 1 | Compare |
Papers archive 2025-07-28
22 shown of 22 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 22. 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
No loader listed in the archive.
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
- BACE
- BACE (β-secretase enzyme)
2 variant names, as the archive lists them.
Report a problem or propose a change · a person checks every report against the paper or source before anything changes; decisions are listed on /corrections