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authorChristoph Helma <helma@in-silico.ch>2021-02-22 23:43:40 +0100
committerChristoph Helma <helma@in-silico.ch>2021-02-22 23:43:40 +0100
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@fig:tsne-mp2d shows the t-SNE of pyrrolizidine alkaloids (PA) and the mutagenicity training data in MP2D space (Tanimoto/Jaccard similarity).
-![t-SNE visualisation of mutagenicity training data and pyrrolizidine alkaloids (PA)](figures/tsne-mp2d.png){#fig:tsne-mp2d}
+![t-SNE visualisation of mutagenicity training data and pyrrolizidine alkaloids (PA)](figures/tsne-mp2d-mutagenicity.png){#fig:tsne-mp2d}
@fig:tsne-cdk shows the t-SNE of pyrrolizidine alkaloids (PA) and the mutagenicity training data in CDK space (Euclidean similarity).
-![t-SNE visualisation of mutagenicity training data and pyrrolizidine alkaloids (PA)](figures/tsne-cdk.png){#fig:tsne-cdk}
+![t-SNE visualisation of mutagenicity training data and pyrrolizidine alkaloids (PA)](figures/tsne-cdk-mutagenicity.png){#fig:tsne-cdk}
Discussion
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