IMDEA Water Institute, Alcalà de Henares (Madrid), Spain.
Dutch Board for the Authorisation of Plant Protection Products and Biocides (Ctgb), Ede, Netherlands.
Integr Environ Assess Manag. 2019 May;15(3):345-351. doi: 10.1002/ieam.4136. Epub 2019 Mar 25.
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.
本文总结了发表在之前期《综合环境评估与管理》（IEAM）上的一个特别系列 7 篇文章（4 篇关于毒代动力学-毒效动力学[TK-TD]模型，3 篇关于定量结构-活性关系[QSAR]模型）。本文总结了这个特别系列文章，并强调了它们对增加效应模型监管适用性这一主题的贡献。对于 TK-TD 和 QSAR 方法，我们随后描述了主要的研究需求。必须更好地发展用于描述亚致死效应的 TK-TD 模型，特别是通过改进动态能量预算（DEBtox）方法。强调了 TK-TD 模型从较低（分子）层次到较高（种群）层次的潜在应用，这是一条很有前途的研究路线。还描述了一些与提高监管层面 QSAR 模型可接受性相关的问题，例如提高性能评估和建模算法、模型文档的透明度，所选目标对监管需求的相关性，以及提高机制解释性。综合环境评估与管理 2019；00：000-000。©2019 SETAC。
