ResearchBenchmarksLogD Prediction on LIPOPLogD Prediction on LIPOPFollow0.601LogDRDKit0.545880.560190.57450.58881Apr 30, 2026Evaluation resultsMethodMethodLinksLogDRDKitrepetitions=5, hyperpa...repetitions=5, hyperparameters=shared2026.040.601Torsionrepetitions=5, hyperpa...repetitions=5, hyperparameters=shared2026.040.597Morganrepetitions=5, hyperpa...repetitions=5, hyperparameters=shared2026.040.581AtomPairrepetitions=5, hyperpa...repetitions=5, hyperparameters=shared2026.040.551HDCrepetitions=5, hyperpa...repetitions=5, hyperparameters=shared2026.040.548