Genetic algorithm driven clustering for toxicity prediction

نویسندگان

  • Dirk Devogelaere
  • Patrick van Bael
  • Marcel Rijckaert
چکیده

The pace of technological advancement in today’s society has generated an enormous demand for methods facilitating the intelligent testing for the toxicity of new chemicals. Until now it is common use to make prediction based on ‘real’ tests. Recent investigations support the general assumption that macroscopic properties like toxicity and ecotoxicity strongly depend on microscopic features and the structure of the molecule.

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تاریخ انتشار 2000