Literature DB >> 30821044

Predictive models in ecotoxicology: Bridging the gap between scientific progress and regulatory applicability-Remarks and research needs.

Marco Vighi1, Alpar Barsi2, Andreas Focks3, Francesca Grisoni4.   

Abstract

This paper concludes a special series of 7 articles (4 on toxicokinetic-toxicodynamic [TK-TD] models and 3 on quantitative structure-activity relationship [QSAR] models) published in previous issues of Integrated Environmental Assessment and Management (IEAM). The present paper summarizes the special series articles and highlights their contribution to the topic of increasing the regulatory applicability of effect models. For both TK-TD and QSAR approaches, we then describe the main research needs. The use of TK-TD models for describing sublethal effects must be better developed, particularly through the improvement of the dynamic energy budget (DEBtox) approach. The potential of TK-TD models for moving from lower (molecular) to higher (population) hierarchical levels is highlighted as a promising research line. Some relevant issues to improve the acceptance of QSAR models at the regulatory level are also described, such as increased transparency of the performance assessment and of the modeling algorithms, model documentation, relevance of the chosen target for regulatory needs, and improved mechanistic interpretability. Integr Environ Assess Manag 2019;00:000-000.
© 2019 SETAC. © 2019 SETAC.

Keywords:  Bioaccumulation modelling; Effect modelling; QSAR; Regulation; TK-TD

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Year:  2019        PMID: 30821044     DOI: 10.1002/ieam.4136

Source DB:  PubMed          Journal:  Integr Environ Assess Manag        ISSN: 1551-3777            Impact factor:   2.992


  1 in total

1.  Consensus versus Individual QSARs in Classification: Comparison on a Large-Scale Case Study.

Authors:  Cecile Valsecchi; Francesca Grisoni; Viviana Consonni; Davide Ballabio
Journal:  J Chem Inf Model       Date:  2020-03-02       Impact factor: 4.956

  1 in total

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