Hoondert, Renske P. J. Oldenkamp, Rik de Zwart, Dick van de Meent, Dik Posthuma, Leo Dataset for: QSAR-based estimation of SSD parameters – an exploratory investigation 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 EC50s 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. ecotoxicology;species sensitivity distributions;aquatic toxicology;NOEC;EC50;Environmental Sciences not elsewhere classified;Environmental Science;Environmental Chemistry 2019-12-12
    https://wiley.figshare.com/articles/dataset/Dataset_for_QSAR-based_estimation_of_SSD_parameters_an_exploratory_investigation/11358578
10.6084/m9.figshare.11358578.v1