CBio3 Laboratory Solubility Database: SolCbio3Database

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.