BACE (β-secretase enzyme)

홈페이지 · 논문 22편

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.

벤치마크

Molecular Property Prediction on BACE 결과 40개

Drug Discovery on BACE 결과 6개

Graph Classification on BACE 결과 4개

Drug Discovery on BACE (β-secretase enzyme) 결과 1개