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

Puzyn, T and Jeliazkova, N and Sarimveis, H and Marchese Robinson, RL and Lobaskin, V and Rallo, R and Richarz, AN and Gajewicz, A and Papadopulos, MG and Hastings, J and Cronin, MTD and Benfenati, E and Fernandez, A Perspectives from the NanoSafety Modelling Cluster on the validation criteria for (Q)SAR models used in nanotechnology. Food and Chemical Toxicology. ISSN 0278-6915 (Accepted)

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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 exposure 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.

Item Type: Article
Uncontrolled Keywords: 0908 Food Sciences
Subjects: Q Science > QA Mathematics > QA75 Electronic computers. Computer science
Q Science > QC Physics
Q Science > QD Chemistry
R Medicine > R Medicine (General)
Divisions: Pharmacy & Biomolecular Sciences
Publisher: Elsevier
Date Deposited: 22 Sep 2017 11:23
Last Modified: 22 Sep 2017 11:23
URI: http://researchonline.ljmu.ac.uk/id/eprint/7168

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