Neural Network Approach to the Prediction of the Toxicity of Benzothiazolium Salts from Molecular Structure
Journal of Chemical Information and Computer Sciences1996Vol. 36(5), pp. 992–995
Citations Over TimeTop 13% of 1996 papers
Abstract
The prediction of the toxicity of benzothiazolium salts calculated by the neural network model is presented. The results are comparable with the previous calculations based on the Free--Wilson additivity model. The method of calculation of activity contributions of substituents is described.
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