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. 2022 Feb 22;130(2):027012. doi: 10.1289/EHP9341

Figure 4.

Figure 4 is a set of six models for atomic contribution to toxicity of n-phenyl-p-phenylenediamine, including skin sensitization toxic open parenthesis positive close parenthesis, skin irritation nontoxic open parenthesis negative close parenthesis, eye irritation toxic open parenthesis positive close parenthesis, acute dermal nontoxic open parenthesis negative close parenthesis, acute oral toxic open parenthesis positive close parenthesis, and acute inhalation nontoxic open parenthesis negative close parenthesis.

Maps of fragment contributions and predictions of each model for N-phenyl-p-phenylenediamine. The predicted fragment contribution of a toxic effect is accompanied by the map of the atomic contributions to toxicity. Red regions with continuous lines indicate the fragment is predicted to increase toxicity. Green regions with dashed lines indicate the fragment is predicted to decrease the toxicity.