ResearchBenchmarksMolecular Property Prediction on BACE (IC50 [pIC50])Molecular Property Prediction on BACE (IC50 [pIC50])Follow0.571pIC50HDC0.512760.527880.5430.55812Apr 30, 2026Evaluation resultsMethodMethodLinkspIC50HDCrepetitions=5, hyperpa...repetitions=5, hyperparameters=shared2026.040.571RDKitrepetitions=5, hyperpa...repetitions=5, hyperparameters=shared2026.040.54Torsionrepetitions=5, hyperpa...repetitions=5, hyperparameters=shared2026.040.525AtomPairrepetitions=5, hyperpa...repetitions=5, hyperparameters=shared2026.040.522Morganrepetitions=5, hyperpa...repetitions=5, hyperparameters=shared2026.040.515