Application of in silico modelling to estimate toxicity of migrating substances from food packaging

• Published in: Food and chemical toxicology Vol. 71; pp. 136 - 141
• Main Authors: Price, Nicholas, Chaudhry, Qasim
• Format: Journal Article
• Language: English
• Published: Oxford Elsevier Ltd 01.09.2014; Elsevier
• Subjects: (Q)SAR; Biological and medical sciences; carcinogenicity; chemical compounds; Computational toxicology; Computer Simulation; Food Packaging; Food toxicology; foods; In silico methods; Medical sciences; Models, Theoretical; mutagenicity; packaging materials; Packaging migrants; rapid methods; Read across; safety assessment; screening; Toxicity Tests; Toxicology; Weight of evidence; In silico methods; Packaging migrants; Computational toxicology; Read across; Weight of evidence; (Q)SAR; Toxicity; Migration; Method; Toxicology; Structure activity relation; Packaging; In silico; Food

•In silico modelling is used to draw toxicity estimates for a set of 136 chemical migrants from food packaging materials.•Estimates for mutagenicity/carcinogenicity of the chemical migrants are compared with the available data.•Structural analogues with experimental data on mutagenicity/carcinogenic...