A General QSAR Model for Predicting the Toxicity of Organic Chemicals to Luminescent Bacteria (Microtox® test)
- 1 November 1995
- journal article
- Published by Informa UK Limited in SAR and QSAR in Environmental Research
- Vol. 4 (1), 29-38
- https://doi.org/10.1080/10629369508234012
Abstract
A large data set of Microtox® toxicity results was used to derive a general QSAR model. Chemicals were described by means of a modified autocorrelation method. The autocorrelation vectors were generated from atomic contributions encoding the hydrophobicity and molar refractivity of the molecules. A three-layer backpropagation neural network was used to design the model. The obtained results were compared with those obtained from a principal components regression analysis.Keywords
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