Prediction of molecular diffusivity of organic molecules based on group contribution with tree optimization and SVM models

Ji Zhou,Supat Chupradit,Kirill Ershov,Wanich Suksatan,Haydar Abdulameer Marhoon,May Alashwal,Sami Ghazali,Mohammed Algarni,A.S. El-Shafay

Journal of Molecular Liquids（2022）

引用 3|浏览3

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摘要

•Computation of a simulation approach for understanding of mass transfer.•Tree and SVM methods on prediction of diffusivity of organic molecules.•Validation and training the neural model using experimental data.

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关键词

Machine learning model,Simulation,Optimization,Support vector machine,Diffusion coefficient

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