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. Author manuscript; available in PMC: 2017 Dec 21.
Published in final edited form as: Green Chem. 2016 Oct 6;18(24):6501–6515. doi: 10.1039/C6GC01836J

Figure 4.

Figure 4

Example of interpretation of QSAR models visualized as color-coding according to atom contributions in change of sensitization potential: red – sensitization increase; blue – sensitization decrease; green – no significant contribution. Green arrows represent higher confidence of the prediction. This information helps to guide structural transformation of human skin sensitizer phenyl benzoate into various non-sensitizers (see Figure 3).