A General QSAR Model for Predicting the Acute Toxicity of Pesticides toOncorhynchus mykiss
- 1 March 2000
- journal article
- research article
- Published by Taylor & Francis Ltd in SAR and QSAR in Environmental Research
- Vol. 11 (1), 25-43
- https://doi.org/10.1080/10629360008033227
Abstract
A Quantitative Structure-Activity Relationship (QSAR) model was derived for estimating the acute toxicity of pesticides against Oncorhynchus mykiss under varying experimental conditions. Chemicals were described by means of autocorrelation descriptors encoding lipophilicity (H0 to H5) and the H-bonding acceptor ability (HBA0) and H-bonding donor ability (HBD0) 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 hardness.Keywords
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