Premium
Quantitative structure‐activity relationships in aquatic toxicity studies of chemicals and complex mixtures of chemicals
Author(s) -
Hermens Joop,
Musch Aalt,
Köunemann Hans,
Leeuwangh Peter
Publication year - 1985
Publication title -
environmental toxicology and chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.1
H-Index - 171
eISSN - 1552-8618
pISSN - 0730-7268
DOI - 10.1002/etc.5620040303
Subject(s) - quantitative structure–activity relationship , aquatic toxicology , organic chemicals , chemistry , environmental chemistry , halogen , toxicity , aquatic environment , chemical compound , organic chemistry , stereochemistry , biology , ecology , alkyl
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.