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Python code accompanying the academic paper on the prediction of the SFT-log(c) profile for surfactants in water

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DaleSeddon-GitHub/SFT-logc-Prediction

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SFT-log(c)-Prediction

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).

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Python code accompanying the academic paper on the prediction of the SFT-log(c) profile for surfactants in water

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