Literature DB >> 25047023

Automated and reproducible read-across like models for predicting carcinogenic potency.

Elena Lo Piparo1, Andreas Maunz2, Christoph Helma2, David Vorgrimmler2, Benoît Schilter3.   

Abstract

Several qualitative (hazard-based) models for chronic toxicity prediction are available through commercial and freely available software, but in the context of risk assessment a quantitative value is mandatory in order to be able to apply a Margin of Exposure (predicted toxicity/exposure estimate) approach to interpret the data. Recently quantitative models for the prediction of the carcinogenic potency have been developed, opening some hopes in this area, but this promising approach is currently limited by the fact that the proposed programs are neither publically nor commercially available. In this article we describe how two models (one for mouse and one for rat) for the carcinogenic potency (TD50) prediction have been developed, using lazar (Lazy Structure Activity Relationships), a procedure similar to read-across, but automated and reproducible. The models obtained have been compared with the recently published ones, resulting in a similar performance. Our aim is also to make the models freely available in the near future thought a user friendly internet web site.
Copyright © 2014 Elsevier Inc. All rights reserved.

Entities:  

Keywords:  Alternative method; Cancer potency (TD(50)); Genotoxicity; Quantitative structure activity relationship (QSAR); Read-across; Risk assessment; Toxicity

Mesh:

Substances:

Year:  2014        PMID: 25047023     DOI: 10.1016/j.yrtph.2014.07.010

Source DB:  PubMed          Journal:  Regul Toxicol Pharmacol        ISSN: 0273-2300            Impact factor:   3.271


  2 in total

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

Authors:  Christoph Helma; David Vorgrimmler; Denis Gebele; Martin Gütlein; Barbara Engeli; Jürg Zarn; Benoit Schilter; Elena Lo Piparo
Journal:  Front Pharmacol       Date:  2018-04-25       Impact factor: 5.810

Review 2.  In silico toxicology: computational methods for the prediction of chemical toxicity.

Authors:  Arwa B Raies; Vladimir B Bajic
Journal:  Wiley Interdiscip Rev Comput Mol Sci       Date:  2016-01-06
  2 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.