BigSolDB: solubility dataset of compounds in organic solvents and water in a wide range of temperatures
BigSolDB was integrated into new BigSolDB 2.0 dataset!
The paper is here
We present an openly accessible dataset of solubility in organic solvents and water in a wide range of temperatures. BigSolDB contains 54273 individual solubility values, 830 unique molecules and 138 individual solvents for the temperature range from 243.15 to 403.15K and at atmospheric pressure
The paper is here
We present an openly accessible dataset of solubility in organic solvents and water in a wide range of temperatures. BigSolDB contains 54273 individual solubility values, 830 unique molecules and 138 individual solvents for the temperature range from 243.15 to 403.15K and at atmospheric pressure
Statistic
Number of records
SMILES
Solvents
Number of sources
BigSolDB
54273
839
138
771
BigSolDB 2.0
103944
1448
213
1595
Cite
@article{krasnovBigSolDB20Dataset2025,
title = {{{BigSolDB}} 2.0, Dataset of Solubility Values for Organic Compounds in Different Solvents at Various Temperatures},
author = {Krasnov, Lev and Malikov, Dmitry and Kiseleva, Marina and Tatarin, Sergei and Sosnin, Sergey and Bezzubov, Stanislav},
year = {2025},
month = jul,
journal = {Scientific Data},
volume = {12},
number = {1},
pages = {1236},
issn = {2052-4463},
doi = {10.1038/s41597-025-05559-8},
}
Krasnov, L., Malikov, D., Kiseleva, M. et al. BigSolDB 2.0, dataset of solubility values for organic compounds in different solvents at various temperatures. Sci Data 12, 1236 (2025). https://doi.org/10.1038/s41597-025-05559-8