QSAR-based estimation of SSD parameters - an exploratory investigation.
Hoondert, Renske Oldenkamp, Rik de Zwart, Dick van de Meent, Dik Posthuma, Leo
Hoondert, Renske
Oldenkamp, Rik
de Zwart, Dick
van de Meent, Dik
Posthuma, Leo
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Series / Report no.
Open Access
Type
Article
Language
en
Date of publication
2019-09-25
Year of publication
Research Projects
Organizational Units
Journal Issue
Title
QSAR-based estimation of SSD parameters - an exploratory investigation.
Translated Title
Published in
Environ Toxicol Chem 2019; 38(12):2764-70
Abstract
Ecological risk assessments are hampered by limited availability of ecotoxicity data. The present study aimed to explore the possibility of deriving SSD (species sensitivity distribution) parameters for non-tested compounds, based on simple physicochemical characteristics, known SSDs for data-rich compounds and a QSAR-type approach. The median toxicity of a data-poor chemical for species assemblages significantly varies with values of the physicochemical descriptors, especially when based on high quality SSD data (either from acute EC50 s or chronic NOECs). Beyond exploratory uses, we discussed how the precision of QSAR-based SSDs can be improved to construct models that accurately predict the SSD-parameters of data poor chemicals. The current models show that the concept of QSAR-based SSDs supports screening-level evaluations of the potential ecotoxicity of compounds for which data are lacking. This article is protected by copyright. All rights reserved.