ESOL

The ESOL dataset contains 1,128 molecules and is used to evaluate the prediction of aqueous solubility in molecular property prediction models.

Papers using ESOL (3)

Graph-Theoretic Models for the Prediction of Molecular Measurements2026Improving the accuracy and generalizability of molecular property regression models with a substructure-substitution-rule-informed framework2025Multiparameter Persistent Homology for Molecular Property Prediction2023 · 1 cites