BigSolDB: solubility dataset of substances in organic solvents and water in a wide range of temperatures
<h1>BigSolDB 2.0. is available here: <a href="https://zenodo.org/records/15094979">https://zenodo.org/records/15094979</a></h1> <h1><strong>If you use this dataset, please cite our paper</strong>: <a href="https://doi.org/10.1038/s41597-025-05559-8">https://doi.org/10.1038/s41597-025-05559-8</a></h1> <p>BigSolDB contains 54273 solubility values, 830 unique molecules and 138 individual solvents in the temperature range from 243.15 to 403.15K at atmospheric pressure. </p> <p>The 6 columns of this dataset are explained as follows:</p> <ol> <li>SMILES — SMILES representation of a dissolved compound</li> <li>T,K — Temperature in Kelvin</li> <li>Solubility — Experimental solubility value (mole fraction)</li> <li>Solvent — Name of the solvent</li> <li>SMILES_Solvent — SMILES of the solvent</li> <li>Source — a data source for given values</li> </ol>
ShareScore
40/100
Overall dataset sharing score
Score breakdown
These five areas show where the dataset supports — or may limit — practical reuse.
- Stewardship
- 8
- Harmonization
- 4
- Access
- 20
- Reuse readiness
- 8
- Engagement
- 0
Topics
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