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
| Trend | Task | Dataset Variant | Best Model | Paper | Code |
|---|---|---|---|---|---|
|
BACE
|
MolXPT
|
|||
|
BACE
|
TrimNet
|
|||
|
BACE
|
|
|||
|
BACE (β-secretase enzyme)
|
GLAM
|
Papers
| Paper | Code | Results | Date | Stars |
|---|
Dataset Loaders
No data loaders found. You can
submit your data loader here.
No data loaders found. You can
submit your data loader here.
