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@@ -410,6 +410,10 @@ validation data. This step was repeated 10 times.
![Flowchart of the generation and validation of the models generated in R-project](figures/image1.png){#fig:valid}
+<!--
+TODO: **Verena** Ich hab die *Applicability domain* section weggelassen, da sie ansc
+-->
+
#### Applicability domain
TODO: **Verena**: Mit welchen Deskriptoren hast Du den Jaccard index berechnet? Fuer den Jaccard index braucht man binaere Deskriptoren (zB MP2D), mit PaDEL Deskriptoren koennte man zB eine euklidische oder cosinus Distanz berechnen.
@@ -621,6 +625,8 @@ Pyrrolizidine alkaloid mutagenicity predictions are summarized in Table @tab:pa.
![t-sne visualisation of mutagenicty training data and pyrrolizidine alkaloids (PA)](figures/tsne-padel.png){#fig:tsne-padel}
+\input{pa-tab.tex}
+
Discussion
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