ResearchBenchmarksMolecular Property Prediction (logS) on AqSolDBMolecular Property Prediction (logS) on AqSolDBFollow0.851logS (log M)RDKit0.608680.671590.73450.79741Apr 30, 2026Evaluation resultsMethodMethodLinkslogS (log M)RDKitrepetitions=5, hyperpa...repetitions=5, hyperparameters=shared2026.040.851Torsionrepetitions=5, hyperpa...repetitions=5, hyperparameters=shared2026.040.756Morganrepetitions=5, hyperpa...repetitions=5, hyperparameters=shared2026.040.73AtomPairrepetitions=5, hyperpa...repetitions=5, hyperparameters=shared2026.040.624HDCrepetitions=5, hyperpa...repetitions=5, hyperparameters=shared2026.040.618