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