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-rw-r--r--loael.Rmd5
-rw-r--r--loael.md5
-rw-r--r--loael.pdfbin661959 -> 661574 bytes
-rw-r--r--loael.tex6
4 files changed, 0 insertions, 16 deletions
diff --git a/loael.Rmd b/loael.Rmd
index 03f5089..ad5a655 100644
--- a/loael.Rmd
+++ b/loael.Rmd
@@ -684,11 +684,6 @@ is required. This can be done in the graphical interface
(<https://lazar.in-silico.ch>) which provides intuitive means of inspecting the
rationales and data used for read across predictions.
-Finally there is a substantial number of compounds
-(`r length(unique(t$SMILES))-length(training$LOAEL_predicted)`),
-where no predictions can be made, because there are no similar compounds in the training data. These compounds clearly fall beyond the applicability domain of the training dataset
- and in such cases it is preferable to avoid predictions instead of random guessing.
-
Summary
=======
diff --git a/loael.md b/loael.md
index 9da9949..8fbfdd1 100644
--- a/loael.md
+++ b/loael.md
@@ -625,11 +625,6 @@ is required. This can be done in the graphical interface
(<https://lazar.in-silico.ch>) which provides intuitive means of inspecting the
rationales and data used for read across predictions.
-Finally there is a substantial number of compounds
-(37),
-where no predictions can be made, because there are no similar compounds in the training data. These compounds clearly fall beyond the applicability domain of the training dataset
- and in such cases it is preferable to avoid predictions instead of random guessing.
-
Summary
=======
diff --git a/loael.pdf b/loael.pdf
index 25d0755..a09d5ab 100644
--- a/loael.pdf
+++ b/loael.pdf
Binary files differ
diff --git a/loael.tex b/loael.tex
index 5376ce0..640169d 100644
--- a/loael.tex
+++ b/loael.tex
@@ -825,12 +825,6 @@ This can be done in the graphical interface
(\url{https://lazar.in-silico.ch}) which provides intuitive means of
inspecting the rationales and data used for read across predictions.
-Finally there is a substantial number of compounds (37), where no
-predictions can be made, because there are no similar compounds in the
-training data. These compounds clearly fall beyond the applicability
-domain of the training dataset and in such cases it is preferable to
-avoid predictions instead of random guessing.
-
\section{Summary}\label{summary}
In conclusion, we could demonstrate that \texttt{lazar} predictions