AUTHOR=Maunz Andreas , Gütlein Martin , Rautenberg Micha , Vorgrimmler David , Gebele Denis , Helma Christoph 

TITLE=lazar: a modular predictive toxicology framework

JOURNAL=Frontiers in Pharmacology

VOLUME=4

YEAR=2013

URL=https://www.frontiersin.org/journals/pharmacology/articles/10.3389/fphar.2013.00038

DOI=10.3389/fphar.2013.00038

ISSN=1663-9812

ABSTRACT=<p>lazar (lazy structure–activity relationships) is a modular framework for predictive toxicology. Similar to the <italic>read across</italic> procedure in toxicological risk assessment, lazar creates local QSAR (quantitative structure–activity relationship) models for each compound to be predicted. Model developers can choose between a large variety of algorithms for descriptor calculation and selection, chemical similarity indices, and model building. This paper presents a high level description of the lazar framework and discusses the performance of example classification and regression models.</p>