In the framework of Regulation (EC) 1107/2009, concerning the placing of plant protection products (PPP) on the market, FOCUS models are used to predict active substances concentration in groundwater. The predicted environmental concentration in groundwater (PEC) are influenced by active substance specific parameters, namely DT, K and Freundlich coefficient (1/n), whose minimal variation in certain combinations of intervals significantly affects PEC output. Considering that minimal variation are intrinsic in all laboratory studies, this approach may lead to not acceptable variations in the results for regulatory purposes.
View Article and Find Full Text PDFSeveral Pt(IV) complexes of the general formula [Pt(L)2(L')2(L'')2] [axial ligands L are Cl-, RCOO-, or OH-; equatorial ligands L' are two am(m)ine or one diamine; and equatorial ligands L'' are Cl- or glycolato] were rationally designed and synthesized in the attempt to develop a predictive quantitative structure-activity relationship (QSAR) model. Numerous theoretical molecular descriptors were used alongside physicochemical data (i.e.
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