Review of QSAR Models for Biodegradation
Many regulatory laws resulting from the enactment of the United Nations Stockholm Convention in May 2004, together with the new REACH legislation, have promoted significant new activity in the assessment of Persistent, Bioaccumulative and Toxic (PBT) substances. These are chemicals that have the potential to persist in the environment, accumulate within the tissues of living organisms and, in the case of chemicals categorised as PBTs, show adverse effects following long-term exposure. Under REACH, estimated data generated by (Q)SARs may be used both as a substitute for experimental data, and as a supplement to experimental data in weight-of-evidence approaches. It is foreseen that (Q)SARs will be used for the three main regulatory goals of hazard assessment, risk assessment and PBT/vPvB assessment. In the Registration process under REACH, the registrant will be able to use (Q)SAR data in the registration dossier, provided that adequate documentation is given to argue for the validity of the model(s) used. The experimental determination of the persistence, bioconcentration and toxicity is generally expensive and demanding to perform. For this reason, measuring experimentally the potential PBT profiles of those chemicals that are of potential regulatory interest is considered not feasible. The limited empirical data, the high test costs together with the regulatory constraints and the international push for reduced animal testing motivates a greater reliance on QSAR models in PBT assessment.
This report provides an overview of PBT regulations and criteria, and gives a detailed review of QSAR for estimating the biodegradation of chemicals. The role of biotransformation in the modelling of PBT substances is also described.
PAVAN Manuela;
WORTH Andrew;
2006-11-21
European Commission
JRC34802
EUR 22355 EN,
OP XX-XX-XXXXX-XX-XX,
https://publications.jrc.ec.europa.eu/repository/handle/JRC34802,
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