moleculenet-esol

Published by did:web:demos.alt.science

MoleculeNet ESOL (Delaney) — aqueous solubility measurements for 1,128 small molecules with computed molecular descriptors.

chemistry molecules solubility regression drug-discovery smiles

Details

AT-URIat://did:web:demos.alt.science/science.alt.dataset.entry/3mft5o3z27c2n
LicenseMIT
Schemaat://did:web:demos.alt.science/science.alt.dataset.schema/3mft5o3sl6c2n
Created2026-02-27T07:08:40.072173+00:00

Storage

Typescience.alt.dataset.storageHttp

Labels

NameVersionDescription
moleculenet-esol MoleculeNet ESOL (Delaney) — aqueous solubility measurements for 1,128 small molecules with computed molecular descriptors.