Quantitative structure-activity relationships in aquatic toxicity studies of chemicals and complex mixtures of chemicals
Joop L. M. Hermens, Aalt Musch, Hans Köunemann, Peter Leeuwangh · Environmental Toxicology and Chemistry · 1985
Abstract Several quantitative structure-activity relationships (QSARs) are presented that describe the aquatic toxicity of three different groups of organic chemicals. In QSARs for nonreactive organic chemicals, hydrophobicity as the only parameter gives excellent results. For anilines, hydrophobicity and the Hammet constant were used for the QSAR, whereas for reactive organic halogen compounds, the aquatic toxicities correlated very well with the chemical reactivities. In addition, some remarks on the applicability of QSARs are made.