Performance of in silico models for mutagenicity prediction of food contact materials

Last updated on 9-4-2021 by Jill Alexandre

Public Access


Peer reviewed scientific article



In silico methodologies, such as (quantitative) structure-activity relationships ((Q)SARs), are available to predict a wide variety of toxicological properties and biological activities for structurally diverse substances. To obtain insights in the scientific value of these predictions, the capacity of the prediction models to generate (sufficiently) reliable results for a particular type of compounds needs to be evaluated. In the current study, performance parameters to predict the endpoint ‘bacterial mutagenicity’ were calculated for a battery of common (Q)SAR tools, nam…

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