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Figure 15 | Journal of Cheminformatics

Figure 15

From: Feature combination networks for the interpretation of statistical machine learning models: application to Ames mutagenicity

Figure 15

Example of a difference in models learning and interpretations elucidation. A model may learn that a pattern of aromatic nitro is activating. However, we are not able to generate a fragment describing this. As a result we would identify the activity as being caused by the aromatic nitro and the attached ring. The abstracted pattern is highlighted in blue on the ACTIVATING fragments.

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Journal of Cheminformatics

ISSN: 1758-2946

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