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. 2018 May 29;126(5):057008. doi: 10.1289/EHP2998

Figure 5.

Figure 5A is a line graph plotting descriptor rank (y-axis) across frequency of use (x-axis) for RfD. Figure 5B is a scatter plot with descriptors (y-axis) across their frequency of use (x-axis). Figure 5C plots comparison of the descriptor values ALogP (y-axis) across BCUTp.1l (x-axis) for the top 10 percent RfD and bottom 10 percent RfD.

Example of mechanistic interpretation of QSAR model for the RfD. (A) Ranks of the molecular descriptors by their frequency of use in the model. The top twenty are denoted by dashed lines. (B) The top twenty descriptors shown separately, with the descriptor names. (C) comparison of the descriptor values for the top two descriptors between the highest and lowest potency RfDs. Note: QSAR, quantitative structure activity relationship; RfD, reference dose. Definitions of each molecular descriptor can be found online: https://cdk.github.io/cdk/1.5/docs/api/org/openscience/cdk/qsar/descriptors/molecular/package-summary.html.