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Figure 4 | Journal of Cheminformatics

Figure 4

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

Figure 4

Self organizing map of the chemical space of compounds considered colored by properties. SOM for all compounds in Sets C, D, E, and F colored according to property (with pie charts to represent the percentage of molecules in the cell matching a property). The properties labeled from top-left clockwise: whether the compound is in the Novartis deck, whether it has an Ames+ result, the number of molecules in each cell, whether the polyaromatic substructure occurs in a cell, how many compounds have an aryl-amine substructure present, or how many compounds have a nitroaromatic substructure.

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