# Explicit Solvation Non-Water External Large-Scale Methodology

- Dataset basis: `SolProp CombiSolv-Exp` experimental `dGsolv` rows at `298 K`
- Source DOI: `10.1016/j.cej.2021.129307`
- Solvents retained: `methanol`, `ethanol`, `acetonitrile`, `dmso`
- Public benchmark row schema: canonical solute SMILES, solvent label, experimental `dGsolv` in `kcal/mol`, optional uncertainty, temperature, public source metadata
- Consolidation policy: one canonical solute/solvent row per published benchmark corpus entry, with duplicate measurements merged during curation
- Execution profile: production screening benchmark with fast explicit-solvation settings
- This packet is broader and harder than the smaller curated non-water subset; it is published as a separate large-scale external validation view rather than replacing the smaller packet