This file containts trained Random Forest Regression models for the prediction of lignin pentamers' activity coefficients in organic solvents, by using either Kamlet-Taft parameters or Hansen solubility parameters. Details can be found in the manuscript of Sumer and Van Lehn with the title: "Heuristic Computational Model for Predicting Lignin Solubility in Tailored Organic Solvents". The two models with the names "Kamlet_Taft_Model.joblib" and "Hansen_SP_Model.joblib" can be used with the example script "usingmodels.py".
Please cite: Sumer, Z.; van Lehn, R. C. Heuristic Computational Model for Predicting Lignin Solubility in Tailored Organic Solvents. ACS Sustain Chem Eng 2022. https://doi.org/10.1021/acssuschemeng.2c05199.