Published February 12, 2026
| Version v1
Dataset
Open
CBio3 Laboratory Solubility Database: SolCbio3Database
Authors/Creators
- 1. Universidad de Costa Rica Escuela de Química
-
2.
Universidad de Costa Rica
Description
SolCbio3Database : an open database that compiles experimentally determined intrinsic solubility (logS, in mol/L), melting point (mp, in °C), and neutral octanol-water partition coefficient (logPN) values for organic molecules, as reported in literature, to calculate their intrinsic solubility using the General Solubility Equation (GSE, in logS units). This database also includes the absolute error between the calculated and experimental solubility value (diff_logS).
Each experimental value reports its source (Ref_logS, Ref_mp, and Ref_logP). These are the Articles of the explored external databases:
AqSolDB: Sorkun, M. C.; Khetan, A.; Er, S. AqSolDB, a Curated Reference Set of Aqueous Solubility and 2D Descriptors for a Diverse Set of Compounds. Sci Data 2019, 6 (1), 143. https://doi.org/10.1038/s41597-019-0151-1.
BigSolDB2.0: Krasnov, L.; Malikov, D.; Kiseleva, M.; Tatarin, S.; Sosnin, S.;Bezzubov, S. BigSolDB 2.0, Dataset of Solubility Values for Organic Compounds in Different Solvents at Various Temperatures. Sci Data 2025, 12 (1), 1236. https://doi.org/10.1038/s41597-025-05559-8.
Files
SolCbio3Database_v1.csv
Files
(432.0 kB)
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