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Data for: Ionic Liquid Conductivity Models by Symbolic Regression

https://doi.org/10.71870/11vs-fb95
Two datasets with experimentally measured ionic conductivities for different ionic liquids (IL) are provided. The first one was measured in-house for a publication by Nilsson-Hallén et al. (2019), whilst the second one is a curated subset of the database ILThermo. In addition to the experimental data, a set of molecular descriptors are given for each IL. These were computed using the open-source software RDKIT and OpenBabel.
Download data and documentation (6 files / 865.32 KiB)

Data files

  • ilthermo_data.json
    650.47 KiB
  • ilthermo_meta_data.csv
    42.96 KiB
  • nh_data.json
    38.94 KiB
  • nh_meta_data.csv
    2.75 KiB

Documentation files

  • descriptor_computations.pdf
    127.55 KiB
  • README.md
    2.66 KiB

Citation and access

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No

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Responsible department/unit:

Department of Physics

Topic and keywords

Standard för svensk indelning av forskningsämnen 2025:

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Relations

Is derived from:

Ionic Liquids Database - ILThermo (v2.0)Opens in a new tab

Is derived from:

RDKit: Open-source cheminformatics.Opens in a new tab

Publications

Citation:

Nilsson-Hallén, J., Ahlström, B., Marczewski, M., & Johansson, P. (2019). Ionic Liquids: A Simple Model to Predict Ion Conductivity Based on DFT Derived Physical Parameters. Frontiers in Chemistry, 7. https://doi.org/10.3389/fchem.2019.00126Opens in a new tab

Citation:

Bengtsson, I., Johansson, P. Ionic Liquid Conductivity Models by Symbolic Regression. In submission, (2025).

Citation:

O'Boyle, N.M., Banck, M., James, C.A. et al. Open Babel: An open chemical toolbox. J Cheminform 3, 33 (2011). https://doi.org/10.1186/1758-2946-3-33Opens in a new tab

Metadata

Version 1
doris
chalmers
Published: