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!
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
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{Krasnov2023,
doi = {10.26434/chemrxiv-2023-qqslt},
url = {https://doi.org/10.26434/chemrxiv-2023-qqslt},
year = {2023},
month = apr,
publisher = {ChemRxiv},
author = {Lev Krasnov and Simon Mikhaylov and Maxim Fedorov and Sergey Sosnin},
title = {{BigSolDB}: Solubility Dataset of Compounds in Organic Solvents and Water in a Wide Range of Temperatures}
}Lev Krasnov, Simon Mikhaylov, Maxim Fedorov and Sergey Sosnin BigSolDB: Solubility
Dataset of Compounds in Organic Solvents and Water in a Wide Range of
Temperatures, doi: 10.26434/chemrxiv-2023-qqslt