BigSolDB: solubility dataset of compounds in organic solvents and water in a wide range of temperatures

View Dataset
Krasnov, Lev;Mikhaylov, Simon;Fedorov, Maxim V.;Sosnin, Sergey

Description

BigSolDB contains 54273 solubility values, 830 unique molecules and 139 individual solvents in the temperature range from 243.15 to 403.15K at atmospheric pressure. The 5 columns of this dataset are explained as follows: SMILES — SMILES representation of a dissolved compound T,K — Temperature in Kelvin Solubility — Experimental solubility value (mole fraction) Solvent — Name of the solvent Source — a data source for given values

Citations (0)

Mentions (0)

Metrics

Dataset Index

1.0

FAIR Score

79%

Citations

1

Mentions

0

Metrics Over Time

Publication Details

DOI

Publisher

Zenodo

License

Creative Commons Attribution 4.0 International

Open Access

Assigned Domain

Subfield

Materials Chemistry

Field

Materials Science

Domain

Physical Sciences

Confidence Score

93%

Source

Open Alex

Keywords

SolubilityQSARCheminformatics

Normalization Factors

FT

50.00

CTw

1.00

MTw

1.00