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Streamlining Linear Free Energy Relationships of Proteins through Dimensionality Analysis and Linear Modeling

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NIAID Data Ecosystem2026-05-02 收录
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https://zenodo.org/record/12644423
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This dataset and accompanying R code support the manuscript titled "Streamlining Linear Free Energy Relationships of Proteins through Dimensionality Analysis and Linear Modeling," submitted to the Journal of Chemical Information and Modeling. The dataset primarily contains tables detailing the various chemicals, dependent, and independent variables used to develop two-parameter linear models for predicting muscle protein-water and serum albumin-water partition coefficients in this study. Additionally, it includes information on both observed and predicted values of these partition coefficients by newly developed models. The R code comprises scripts used for generating figures and results presented in the manuscript. The R code comprises scripts used for generating figures and results presented in the manuscript. These files are currently under restricted access for peer review purposes and will be made publicly available upon acceptance of the manuscript.
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2024-07-05
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