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Perspective on the Use of Structure-Activity Expert Systems in Toxicology

  • Conference paper
Modulation of Cellular Responses in Toxicity

Part of the book series: NATO ASI Series ((ASIH,volume 93))

Summary

MULTICASE and META, two computer-based expert systems, are described and applications illustrated.

MULTICASE, in conjunction with specific data bases, can be used to predict the biological activity (e.g. toxicity) of yet untested molecules as well as to gain mechanistic insight. Heretofore, in excess of 70 toxicity data bases have been successfully analyzed by MULTICASE.

META is an expert system that has assimilated 665 enzymic and 286 spontaneous reactions. It can be used to identify biotransformation pathways and putative metabolites.

When operated in tandem, META and MULTICASE allow the prediction of the toxicity of parent molecules as well as of their metabolites.

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Author information

Authors and Affiliations

  1. Department of Environmental and Occupational Health, University of Pittsburgh, Pittsburgh, PA, 15238, USA

    Herbert S. Rosenkranz

  2. Department of Chemistry, Case Western Reserve University, Cleveland, OH, 44106, USA

    Gilles Klopman

Authors
  1. Herbert S. Rosenkranz
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  2. Gilles Klopman
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Editor information

Editors and Affiliations

  1. Istituto di Scienze Farmacologiche, Via G. Balzaretti 9, I-20133, Milano, Italy

    Corrado L. Galli  & Marina Marinovich  & 

  2. Center for Alternatives to Animal Testing, Johns Hopkins School of Public Health, 111 Market Place, Suite 840, 21202-6709, Baltimore, MD, USA

    Alan M. Goldberg

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© 1995 Springer-Verlag Berlin Heidelberg

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Rosenkranz, H.S., Klopman, G. (1995). Perspective on the Use of Structure-Activity Expert Systems in Toxicology. In: Galli, C.L., Marinovich, M., Goldberg, A.M. (eds) Modulation of Cellular Responses in Toxicity. NATO ASI Series, vol 93. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-79872-6_4

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  • DOI: https://doi.org/10.1007/978-3-642-79872-6_4

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-642-79874-0

  • Online ISBN: 978-3-642-79872-6

  • eBook Packages: Springer Book Archive

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