Fig. 5: Relationship between molecular descriptors and observed transformation rates of polyfluoroalkyl substances.

a displays an intercorrelation matrix of molecular descriptors. The color of each circle indicates the direction of the correlation, with red circles representing positive correlations and blue circles indicating negative correlations. The size of each circle corresponds to the strength of the correlation, with larger circles denoting stronger relationships. b presents linear regression plots showing the relationship between the natural logarithm of the observed lnkobs and the molecular descriptors SssNH and AATS4p. c compares the predicted and measured values of lnkobs using a multilinear regression model.