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Figure 12 | Journal of Cheminformatics

Figure 12

From: An investigation into pharmaceutically relevant mutagenicity data and the influence on Ames predictive potential

Figure 12

Performance of the TopKat Ames mutagenicity prediction module on aryl-amines. Performance of the default, prebuilt TopKat Ames mutagenicity model on Set A (orange) and Set B (red) for MW < 250 g/mol (solid line) or for 250 < MW < 500 g/mol (dashed). Additionally, the vertically averaged performance of a 3-fold random cross-validated retraining of the TopKat model using Set A is shown in brown with standard deviation error bars.

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