Frontiers in Pharmacology (Apr 2013)

lazar: A modular predictive toxicology framework

  • Andreas eMaunz,
  • Martin eGütlein,
  • Micha eRautenberg,
  • David eVorgrimmler,
  • Denis eGebele,
  • Christoph eHelma

DOI
https://doi.org/10.3389/fphar.2013.00038
Journal volume & issue
Vol. 4

Abstract

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lazar (lazy structure-activity relationships) is a modular framework for predictive toxicology. Similar to the read across procedure in toxicological risk assessment, lazar creates local QSAR 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 regressionmodels.

Keywords