Python code accompanying the academic paper 'Machine learning hybrid approach for the prediction of surface tension profiles of surfactants in aqueous solution' to predict the SFT-log(c) isotherm for surfactants in water at 20-30C, using the Szyszkowski equation.
Download all the files within this repository and run logC-SFT.ipynb to predict the SFT-log(c) isotherm. Excel files with the descriptors ordered as shown in table S2 of the supplementary information will be needed for the prediction. An example file containing descriptors for 6 surfactants is given in this repository for each of the target variables (MaxSEC_AlvaDesc_Examples.xlsx, KL_SIRMS_Examples.xlsx, CMC_CDK_Examples.xlsx).