summaryrefslogtreecommitdiff
path: root/mutagenicity.md
diff options
context:
space:
mode:
authorChristoph Helma <helma@in-silico.ch>2020-10-16 14:00:59 +0200
committerChristoph Helma <helma@in-silico.ch>2020-10-16 14:00:59 +0200
commitdd2dd2d88a5496bebd1906893e4594c9d3d3e9c7 (patch)
treef87b3f22ba418c9edff082e4d8c604a9563bbb9e /mutagenicity.md
parent0e8d8f001b9b9f4d120c8cea4f8715ab571527cf (diff)
table with PA predictions
Diffstat (limited to 'mutagenicity.md')
-rw-r--r--mutagenicity.md6
1 files changed, 6 insertions, 0 deletions
diff --git a/mutagenicity.md b/mutagenicity.md
index 5dbe124..b15ea54 100644
--- a/mutagenicity.md
+++ b/mutagenicity.md
@@ -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
==========