Details zur Publikation

Kategorie Textpublikation
Referenztyp Zeitschriften
Titel (primär) Influence of data preprocessing and kernel selection on probabilistic neural network modeling of the acute toxicity of chemicals to the fathead minnow and Vibrio fischeri bacteria
Autor Niculescu, S.P.; Kaiser, K.L.E.; Schüürmann, G.
Quelle Water Quality Research Journal of Canada
Erscheinungsjahr 1998
Department OEC; COE
Band/Volume 33
Heft 1
Seite von 153
Seite bis 165
Sprache englisch
Abstract

We investigated the connection between the data preprocessing strategy and kernel choice on the quality of the associated basic probabilistic neural network models for the acute toxicity of various chemicals to the fathead minnow and to Vibrio fischeri bacteria. The models employ exclusively structural parameters and physicochemical properties as inputs. Results show that the Gaussian kernel is preferable overthe reciprocal kernel model. Data preprocessing based on the hyperbolic tangent and the sigmoid logistic transforms provides the best results at the level of the cross validation experiment. Improved modelsbased on cross validation partial models and linear corrections werealso investigated. The results show that the improved models with data preprocessing based on the hyperbolic tangent and the finite interval transforms are the best with practically identical quality of predictions.

dauerhafte UFZ-Verlinkung https://www.ufz.de/index.php?en=20939&ufzPublicationIdentifier=8887
Niculescu, S.P., Kaiser, K.L.E., Schüürmann, G. (1998):
Influence of data preprocessing and kernel selection on probabilistic neural network modeling of the acute toxicity of chemicals to the fathead minnow and Vibrio fischeri bacteria
Water Qual. Res. J. Canada 33 (1), 153 - 165