A general QSAR model for predicting the toxicity of organic chemicals to luminescent bacteria (Microtox (R) test)
The Microtox(R) test is widely used to estimate the toxicity of chemicals in screening procedures and to derive QSAR models by means of regression analysis. 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.
Bibliographic Reference: Article: SAR and QSAR in Environmental Research
Record Number: 199511149 / Last updated on: 1995-08-23
Original language: en
Available languages: en