A general QSAR model for predicting the acute toxicity of pesticides to Lepomis macrochirus

SAR and QSAR in Environmental Research
J Devillers

Abstract

A Quantitative Structure-Activity Relationship (QSAR) model was derived for estimating the acute toxicity of pesticides against Lepomis macrochirus under varying experimental conditions. Chemicals were described by means of autocorrelation descriptors encoding lipophilicity (H(0) to H(5)) and the H-bonding acceptor ability (HBA(0)) and H-bonding donor ability (HBD(0)) of the pesticides. A three-layer feedforward neural network trained by the back-propagation algorithm was used as statistical engine for deriving a powerful QSAR model accounting for the weight of the fish, time of exposure, temperature, pH, and water hardness.

References

Apr 18, 2000·SAR and QSAR in Environmental Research·J Devillers, J Flatin
Jul 1, 1964·Journal of Medicinal Chemistry·S M FREE, J W WILSON

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Citations

Mar 15, 2002·Food and Chemical Toxicology : an International Journal Published for the British Industrial Biological Research Association·S M BarlowP Steinberg
Jan 30, 2002·SAR and QSAR in Environmental Research·J Devillers
Feb 5, 2004·SAR and QSAR in Environmental Research·J DevillersG Maurin
Nov 8, 2005·SAR and QSAR in Environmental Research·J Devillers
Apr 29, 2006·SAR and QSAR in Environmental Research·N PiclinJ R Chretien
Dec 2, 2008·Toxicology Letters·Elton ZvinavasheIvonne M C M Rietjens
Feb 6, 2007·Computational Biology and Chemistry·Andrey A Toropov, Emilio Benfenati
Mar 15, 2006·Regulatory Toxicology and Pharmacology : RTP·Daphne de RoodeJan van der Hoeven
Dec 27, 2005·Bioorganic & Medicinal Chemistry·Andrey A Toropov, Emilio Benfenati
Feb 19, 2014·Philosophical Transactions of the Royal Society of London. Series B, Biological Sciences·P C JepsonS Kegley

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