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Stephan Zinke, I. Gerner (2000)
A Computer-Based Structure-Activity Relationship Method for Predicting the Toxic Effects of Organic Chemicals from One-dimensional Representations of their Molecular StructuresAlternatives to Laboratory Animals, 28
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Stephan Zinke, I. Gerner, Gabriele Graetschel, Eva Schlede (2000)
Local Irritation/Corrosion Testing Strategies: Development of a Decision Support System for the Introduction of Alternative MethodsAlternatives to Laboratory Animals, 28
I. Gerner, Gabriele Graetschel, Jürgen Kahl, E. Schlede (2000)
Development of a Decision Support System for the Introduction of Alternative Methods into Local Irritancy/Corrosivity Testing Strategies. Development of a Relational DatabaseAlternatives to Laboratory Animals, 28
I. Gerner, Stephan Zinke, Gabriele Graetschel, Eva Schlede (2000)
Development of a Decision Support System for the Introduction of Alternative Methods into Local Irritancy/Corrosivity Testing Strategies. Creation of Fundamental Rules for a Decision Support SystemAlternatives to Laboratory Animals, 28
Procedures have been established and tested for the extension of a decision support system (DSS) for the prediction of the local irritation/corrosion potential of chemicals by using self-learning classifiers. The different approaches (decision trees, distances examinations in a multidimensional space, k-nearest neighbour method) have been implemented, tested and evaluated independently. A combination of all of the established extension approaches was also developed and tested. Self-learning classifiers are constructed “automatically” by a computer, i.e. they are not derived by a human expert, and thus they can be constructed with minimal effort. The classifiers presented here extend the existing DSS in a manner that increased significantly the predictive power of the extended system. However, automatically calculated results of self-learning classifiers are produced by a machine, and a machine is incapable of explaining the toxicological relevance of the results obtained. Thus, these results must be accepted, despite an inability to prove their reliability. Only the mathematical correctness of the method and the prediction rates for suitable test cases can lend some credibility to predictions produced by a computer calculating on a self-learning basis. This may not be adequate for regulatory hazard assessment purposes.
Alternatives to Laboratory Animals – SAGE
Published: Sep 1, 2000
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