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TheT-hull approach to shape analysis

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Summary

TheT-hull of both discrete point sets and continua is a generalization of the convex hull with respect to a reference objectT. VariousT-hulls serve as tools for shape analysis and as a basis for the introduction of a family of shape similarity measures. Some potential applications of these measures to shape problems arising in the natural sciences and a specific chemical example are discussed. The method ofT-hulls is applicable for the description of molecular shape effects in solvent-solute interactions, in external electromagnetic fields and within enzyme cavities.

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References

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    Mezey PG (1991) J Math Chem 8:91

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    Edelsbrunner H, Kirkpatrick DG, Seidel R (1983) IEEE Trans Inform Theor IT-29:551

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    Mezey PG (1993) Shape in chemistry; an introduction to molecular shape and topology. VCH Publ., New York

  4. 4.

    Mezey PG (to be published)

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Mezey, P.G. TheT-hull approach to shape analysis. Theoret. Chim. Acta 91, 67–71 (1995). https://doi.org/10.1007/BF01113862

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Key words

  • T-hull
  • Shape analysis
  • Solvent-solute interactions