Benchmarkβ-secretase

BACE

An aspartic protease target associated with Alzheimer's disease, commonly used as a benchmark task for molecular property prediction and interpretability evaluation.

Timeline (last 90 days)

Oct 22

Using integrated gradients attribution, the fragment model achieves a hit rate of 1.5 times the random level in recovering known pharmacophores on the BACE target.

Unverified50%

Oct 22

When aggregating the attribution results of the atom-level model, the BACE hit rate fluctuates with two arbitrary aggregation choices, sometimes higher and sometimes lower than the fragment model.

Unverified50%

All Facts (2)

Unverified

Using integrated gradients attribution, the fragment model achieves a hit rate of 1.5 times the random level in recovering known pharmacophores on the BACE target.

50%Unverified

When aggregating the attribution results of the atom-level model, the BACE hit rate fluctuates with two arbitrary aggregation choices, sometimes higher and sometimes lower than the fragment model.

50%

Source Articles

Fragment-Level Graph Encoding: A New Approach to Interpretability in Molecular Property PredictionOct 22