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Dataset . 2026
License: CC BY
Data sources: Datacite
ZENODO
Dataset . 2026
License: CC BY
Data sources: Datacite
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CBio3 Laboratory Solubility Database: SolCbio3Database

Authors: Bertsch-Aguilar, Esteban; Schosinsky, Frederick; Quiros, Nahomy; Pinheiro, Silvana; Zamora Ramírez, William J.;

CBio3 Laboratory Solubility Database: SolCbio3Database

Abstract

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.

Keywords

lipophylicity, solubility, General Solubility Equation, hydrophobicity

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
Average
Average
Average