Dataset and R code support the manuscript titled "Streamlining Linear Free Energy Relationships of Proteins through Dimensionality Analysis and Linear Modeling"

This dataset and 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.

Table S 1: Chemicals with their experimental values of logKch , and values of logKow and  logKaw used to calibrate chicken muscle protein-water 2p-LFER model.

Table S 2: Chemicals with their experimental values of logKfish and values of logKow and  logKaw used to calibrate fish muscle protein-water 2p-LFER model.

Table S 3: Chemicals with their experimental values of logKBSA and values of logKow and  logKaw used to calibrate bovine serum albumin-water 2p-LFER model.

Table S 4: Chemicals with their experimental values of logKpw and values of logKow and  logKaw used to calibrate combined chicken and fish muscle protein-water 2p-LFER model.

Table S 5: Diversity of data for logKpw.

Table S 6: Diversity of data for logKBSA.

Table S 7: Comparison of Experimental and 2p-LFER Predicted Partition Coefficients for ionizable PFAS Compounds.

Table S 8: List of neutral fluorotelomer PFAS Compounds.

Table S 9: List of experimental in vivo and in vitro partitioning data for different tissues and species.

Table S 10: List of experimental Milk-water partition coefficient and predicted values of Milk-water partitioning.

Table S 11: Training set for logKpw

Table S 12: Validation set for log Kpw

Table S 13: Training set for log KBSA

Table S 14: Validation set for log KBSA