Our model ‘PreIDAC’, is a prediction model to predict infinite dilution activity coefficients (γ ) of organic solutes in ionic liquid systems.

Most of the descriptors used in this model are calculated based on the m-PEOE method.

m-PEOE parameters are represented in the following pages:





Our model is developed with 32678 experimental datasets.

The Feed-Forward Artificial Neural Network (FFANN) was used in model training.

You can predict the Infinite dilution activity coefficient of organic solute in an ionic liquid at an arbitrary temperature by uploading a structure file in ‘sdf’ format.

The following button will redirect you to the prediction page.

If this model was helpful, please cite the following paper:

Jeon, Hyeon-Nae, et al. “Development of an Infinite Dilution Activity Coefficient Prediction Model for Organic Solutes in Ionic Liquids with Modified Partial Equalization Orbital Electronegativity Method Derived Descriptors.” ACS omega 6.23 (2021): 15361-15373.

DOI: https://doi.org/10.1021/acsomega.1c01690