BigSolDB: solubility dataset of compounds in organic solvents and water in a wide range of temperatures
收藏NIAID Data Ecosystem2026-03-13 收录
下载链接：
https://zenodo.org/record/6809668
下载链接
链接失效反馈官方服务：
资源简介：
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
创建时间：
2022-09-09
