QSAR issues in aquatic toxicity of surfactants.
Acute lethal toxicity data for a range of anionic and non-ionic surfactants are analysed with the aim of determining whether QSARs can be developed relating toxicity to calculated log P (octanol/water) values. Approaches have been developed for dealing with deficiencies in the fragment method for calculation of log P when applied to surfactants, and when these are applied it is found that log P-based QSARs for surfactants can be developed and are very similar to QSARs established for non-surfactant organic compounds with non-specific modes of action.
Roberts
D W
DW
Unilever Research Port Sunlight Laboratory, Wirral, Merseyside, United Kingdom.
D000818:Animals; D003621:Daphnia / Q000187:drug effects; D008433:Mathematics; D011036:Poecilia; D012044:Regression Analysis; D013329:Structure-Activity Relationship; D013501:Surface-Active Agents / Q000737:chemistry / Q000633:toxicity*; D014874:Water Pollutants, Chemical / Q000633:toxicity*
D013501:Surface-Active Agents; D014874:Water Pollutants, Chemical