EVAL — A New Tool to Evaluate Topological Pharmacophores

  • S. Hübel
  • R. Franke

Abstract

EVAL is a PC-based tool to aid the medicinal chemist to evaluate logical combinations of structural descriptors typical of a given biological activity (topological pharmacophores). The step-wise procedure is fully interactive and works along the lines of the intuitive thinking of the researcher. The results may be interpreted in terms of substructural entities at any time and can be used as a starting point for more sophisticated modelling.

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References

  1. 1.
    Franke R, Hübel S, Streich WJ (1985) Envir. Health Persp. 61:239–255CrossRefGoogle Scholar
  2. 2.
    Streich WJ, Hübel S, Franke R (1988) Math. Comput. Modelling, Oxford 11:674–651Google Scholar
  3. 3.
    Hübel S, Franke R (1990) Pharmacochemistry Library, Elsevier, in press.Google Scholar

Copyright information

© Springer-Verlag Berlin Heidelberg 1991

Authors and Affiliations

  • S. Hübel
    • 1
  • R. Franke
    • 1
  1. 1.Institute of Drug ResearchBerlinDeutschland

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