Quantitative structure-Activity relationship (QSAR) analysis of the acute sublethal neurotoxicity of solvents.

摘要: Abstract Acute, sublethal neurotoxicity data for the neurotropic effects of some common solvents were subjected to quantitative structure-activity relationship (QSAR) analysis. Hydrophobicity was found be important in modelling neurotoxicity; however, highly significant QSARs from regression analysis not obtained, which may imply that metabolic activity and differing mechanisms action play an role neurotoxicity. It is proposed hydrophobicity could used predict a ‘minimal’ neurotoxic effect level, above there will effect. Principal component applied separate chemicals with high (EC 30 less than 50 micromoles/litre) those low This successful when parameters describing hydrophobicity, molecular volume size, melting boiling point included provides potential method whether compound neurotoxic. suggests addition partitioning through membrane, aqueous solubility volatility are also factors governing