What question did this study set out to answer?

The aim is to present COSMOSol, a tool for predicting solubility and thermodynamic properties of organic substances.

February 28, 2026Open Access

Preprint of "COSMOSol: Efficient Solvent Screening for Polymer Additives with Open-Source COSMO-SAC"

Key Points

The aim is to present COSMOSol, a tool for predicting solubility and thermodynamic properties of organic substances.
Developed communication tool COSMOSol using the COSMO-SAC model.
Included source codes and input data for replication.
Maintained documentation for user guidance.
Developed tool effectively predicts solubility and thermodynamic properties.
Released COSMOSol for open-source use, facilitating solvent screening.
Provides a version that ensures reproducibility of results.

Abstract

The dataset contains an archival version of COSMOSol - a computational tool for predicting thermodynamic properties and the solubility of solid organic substances in solvents, and for performing solvent screening using the COSMO-SAC model. It includes all COSMOSol source codes and input data, and reproduces the exact version used to generate the results presented in the associated manuscript (as of 2026-02-26; assuming that the COSMO-SAC package version 1.0.1 is used). COSMOSol repository at GitHub: https://github.com/AdamBouz/COSMOSol. Comprehensive documentation is included within the package and available on the GitHub page.

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