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ZENODO
Dataset . 2022
License: CC BY
Data sources: ZENODO
ZENODO
Dataset . 2022
License: CC BY
Data sources: Datacite
ZENODO
Dataset . 2022
License: CC BY
Data sources: Datacite
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Claim

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

Research datakeyboard_double_arrow_right Dataset 08 Jul 2022Publisher:Zenodo
Authors: Lev Krasnov; Simon Mikhaylov; Maxim V. Fedorov; Sergey Sosnin;

doi: 10.5281/zenodo.6984601 , 10.5281/zenodo.6809668

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

Abstract

BigSolDB 2.0. is available here: https://zenodo.org/records/15094979 If you use this dataset, please cite our paper: https://doi.org/10.1038/s41597-025-05559-8 BigSolDB contains 54273 solubility values, 830 unique molecules and 138 individual solvents in the temperature range from 243.15 to 403.15K at atmospheric pressure. The 6 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 SMILES_Solvent — SMILES of the solvent Source — a data source for given values

Related Organizations
Keywords

Solubility, QSAR, Cheminformatics

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selected citations
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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!
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