Kle. Kaiser et Sp. Niculescu, Using probabilistic neural networks to model the toxicity of chemicals to the fathead minnow (Pimephales promelas): A study based on 865 compounds, CHEMOSPHERE, 38(14), 1999, pp. 3237-3245
We investigate the use of probabilistic neural networks (PNN) to model the
acute toxicity (96-hr LC50) to the fathead minnow (Pimephales promelas) bas
ed on a 865 chemicals data set. In contrast to most other toxicological mod
els, the octanol/water partition coefficient is not used as input parameter
. The information fed into the neural network is solely based on simple mol
ecular descriptors as can be derived from the chemicals' structures and ind
icates the potential of this approach as general methodology for the estima
tion of toxicological effects of chemicals. (C) 1999 Published by Elsevier
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