FreeSolv

FreeSolv is a dataset that contains hydration free energy values for a variety of small molecules, used to evaluate the accuracy of computational methods in predicting these free energies.

Papers using FreeSolv (6)

Predicting solvation free energies with an implicit solvent machine learning potential2024 · 17 citesMolProphecy: Bridging Medicinal Chemists' Knowledge and Molecular Pre-Trained Models via a Multi-Modal Framework2025 · 1 citesMachine-Learned Electrostatic Potentials for Accurate Hydration Free Energy Calculations2025Improving the accuracy and generalizability of molecular property regression models with a substructure-substitution-rule-informed framework2025Accelerating Drug Safety Assessment using Bidirectional-LSTM for SMILES Data2024 · 3 citesMultiparameter Persistent Homology for Molecular Property Prediction2023 · 1 cites