BigSolDB: solubility dataset of compounds in organic solvents and water in a wide range of temperatures
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BigSolDB contains 54273 solubility values, 830 unique molecules and 139 individual solvents in the temperature range from 243.15 to 403.15K at atmospheric pressure. The 5 columns of this dataset are explained as follows: SMILES — SMILES representation of a dissolved compound T,K — Temperature in Kelvin Solubility — Experimental solubility value (mole fraction) Solvent — Name of the solvent Source — a data source for given values
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Zenodo创建时间：
2022-07-08
