Back to Search Start Over

Perspectives from the NanoSafety Modelling Cluster on the validation criteria for (Q)SAR models used in nanotechnology.

Authors :
Puzyn T
Jeliazkova N
Sarimveis H
Marchese Robinson RL
Lobaskin V
Rallo R
Richarz AN
Gajewicz A
Papadopulos MG
Hastings J
Cronin MTD
Benfenati E
Fernández A
Source :
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association [Food Chem Toxicol] 2018 Feb; Vol. 112, pp. 478-494. Date of Electronic Publication: 2017 Sep 21.
Publication Year :
2018

Abstract

Nanotechnology and the production of nanomaterials have been expanding rapidly in recent years. Since many types of engineered nanoparticles are suspected to be toxic to living organisms and to have a negative impact on the environment, the process of designing new nanoparticles and their applications must be accompanied by a thorough risk analysis. (Quantitative) Structure-Activity Relationship ([Q]SAR) modelling creates promising options among the available methods for the risk assessment. These in silico models can be used to predict a variety of properties, including the toxicity of newly designed nanoparticles. However, (Q)SAR models must be appropriately validated to ensure the clarity, consistency and reliability of predictions. This paper is a joint initiative from recently completed European research projects focused on developing (Q)SAR methodology for nanomaterials. The aim was to interpret and expand the guidance for the well-known "OECD Principles for the Validation, for Regulatory Purposes, of (Q)SAR Models", with reference to nano-(Q)SAR, and present our opinions on the criteria to be fulfilled for models developed for nanoparticles.<br /> (Copyright © 2017 Elsevier Ltd. All rights reserved.)

Details

Language :
English
ISSN :
1873-6351
Volume :
112
Database :
MEDLINE
Journal :
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
Publication Type :
Academic Journal
Accession number :
28943385
Full Text :
https://doi.org/10.1016/j.fct.2017.09.037