AUTHOR=Helma Christoph , Vorgrimmler David , Gebele Denis , Gütlein Martin , Engeli Barbara , Zarn Jürg , Schilter Benoit , Lo Piparo Elena 

TITLE=Modeling Chronic Toxicity: A Comparison of Experimental Variability With (Q)SAR/Read-Across Predictions

JOURNAL=Frontiers in Pharmacology

VOLUME=Volume 9 - 2018

YEAR=2018

URL=https://www.frontiersin.org/journals/pharmacology/articles/10.3389/fphar.2018.00413

DOI=10.3389/fphar.2018.00413

ISSN=1663-9812

ABSTRACT=This study compares the accuracy of (Q)SAR/read-across predictions with the
  experimental variability of chronic LOAEL values from *in vivo* experiments.
  We could demonstrate that predictions of the `lazar` algrorithm within
  the applicability domain of the training data have the same variability as
  the experimental training data. Predictions with a lower similarity threshold
  (i.e. a larger distance from the applicability domain) are also significantly
  better than random guessing, but the errors to be expected are higher and
  a manual inspection of prediction results is highly recommended.