QSAR-based estimation of SSD parameters - an exploratory investigation.
dc.contributor.author | Hoondert, Renske | |
dc.contributor.author | Oldenkamp, Rik | |
dc.contributor.author | de Zwart, Dick | |
dc.contributor.author | van de Meent, Dik | |
dc.contributor.author | Posthuma, Leo | |
dc.date.accessioned | 20200413 | |
dc.date.available | 2019-10-03T11:13:11Z | |
dc.date.issued | 2019-09-25 | |
dc.identifier.issn | 1552-8618 | |
dc.identifier.pmid | 31553801 | |
dc.identifier.doi | 10.1002/etc.4601 | |
dc.identifier.uri | http://hdl.handle.net/10029/623255 | |
dc.description.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. | en_US |
dc.language.iso | en | en_US |
dc.subject | EC50 | en_US |
dc.subject | Ecotoxicity data | en_US |
dc.subject | NOEC | en_US |
dc.subject | SSD parameters | en_US |
dc.title | QSAR-based estimation of SSD parameters - an exploratory investigation. | en_US |
dc.type | Article | en_US |
dc.identifier.journal | Environ Toxicol Chem 2019; 38(12):2764-70 | en_US |
dc.source.journaltitle | Environmental toxicology and chemistry |