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Enoch, SJ, Hasarova, Z, Cronin, MTD 
ORCID: 0000-0002-6207-4158, Bridgwood, K, Rao, S, Hueser, A, Kluxen, FM and Frericks, M
(2025)
Matched molecular pairs-driven read-across for the prediction of genotoxicity of plant protection product residues.
Regulatory Toxicology and Pharmacology, 163.
ISSN 0273-2300
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Abstract
In dietary risk assessment of plant protection products, residues of active ingredients and their metabolites need to be evaluated for their genotoxic potential. The European Food Safety Authority recommend a tiered approach focussing assessment and testing on classes of similar chemicals. To characterise similarity, a matched molecular pairs approach has been developed and applied to datasests of sulphonylurea herbicides, strobilurins fungicides and α-chloroacetamide herbicides for which either Ames, chromosomal aberration or micronucleus test results are publicly available. The approach is exemplified with four case studies illustrating how matched molecular pairs analysis can be used to identify analogues that cover the structural domain of the chemical for which a data-gap exists. The method is a robust and reproducible approach to such read-across predictions, with the potential to reduce unnecessary testing.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | 1115 Pharmacology and Pharmaceutical Sciences; Toxicology; 3214 Pharmacology and pharmaceutical sciences |
| Subjects: | R Medicine > RS Pharmacy and materia medica |
| Divisions: | Pharmacy and Biomolecular Sciences |
| Publisher: | Elsevier |
| Date of acceptance: | 27 July 2025 |
| Date of first compliant Open Access: | 4 August 2025 |
| Date Deposited: | 04 Aug 2025 11:17 |
| Last Modified: | 04 Aug 2025 11:30 |
| DOI or ID number: | 10.1016/j.yrtph.2025.105915 |
| URI: | https://researchonline.ljmu.ac.uk/id/eprint/26892 |
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