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dc.contributor.authorHoondert, Renske
dc.contributor.authorOldenkamp, Rik
dc.contributor.authorde Zwart, Dick
dc.contributor.authorvan de Meent, Dik
dc.contributor.authorPosthuma, Leo
dc.date.accessioned20200413
dc.date.available2019-10-03T11:13:11Z
dc.date.issued2019-09-25
dc.identifier.issn1552-8618
dc.identifier.pmid31553801
dc.identifier.doi10.1002/etc.4601
dc.identifier.urihttp://hdl.handle.net/10029/623255
dc.description.abstractEcological 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.en_US
dc.language.isoenen_US
dc.subjectEC50en_US
dc.subjectEcotoxicity dataen_US
dc.subjectNOECen_US
dc.subjectSSD parametersen_US
dc.titleQSAR-based estimation of SSD parameters - an exploratory investigation.en_US
dc.typeArticleen_US
dc.identifier.journalEnviron Toxicol Chem 2019; 38(12):2764-70en_US
dc.source.journaltitleEnvironmental toxicology and chemistry


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