A biology-based approach for quantitative structure-activity relationships (QSARs) in ecotoxicity

被引：47

作者：

Jager, Tjalling ^{[1
]}

Kooijman, Sebastiaan A. L. M. ^{[1
]}

机构：

[1] Vrije Univ Amsterdam, Dept Theoret Biol, FALW, NL-1081 HV Amsterdam, Netherlands

来源：

ECOTOXICOLOGY | 2009年 / 18卷 / 02期

关键词：

QSAR; DEBtox; Survival; Biology-based modelling; Toxicity; ECOLOGICAL RISK-ASSESSMENT; ACUTE TOXICITY; BIOCONCENTRATION KINETICS; PARTITION-COEFFICIENTS; PIMEPHALES-PROMELAS; FATHEAD MINNOW; MODELS; FISH; TOXICOLOGY; CHEMICALS;

D O I：

10.1007/s10646-008-0271-4

中图分类号：

Q14 [生态学（生物生态学）];

学科分类号：

071012 ; 0713 ;

摘要：

Quantitative structure-activity relationships (QSARs) for ecotoxicity can be used to fill data gaps and limit toxicity testing on animals. QSAR development may additionally reveal mechanistic information based on observed patterns in the data. However, the use of descriptive summary statistics for toxicity, such as the 4-day LC50 for fish, introduces bias and ignores valuable kinetic information in the data. Biology-based methods use all of the toxicity data in time to derive time-independent and unbiased parameter estimates. Such an approach offers whole new opportunities for mechanism-based QSAR development. In this paper, we apply the hazard model from DEBtox to analyse survival data for fathead minnows (Pimephales promelas). Different modes of action resulted in different patterns in the parameter estimates, and therefore, the toxicity data by themselves reveal insight into the actual mechanism of toxic action.

引用

页码：187 / 196

页数：10

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