A Lattice-Theoretical
Shape Concept
Imre
Bálint,1,2,3 András Kocsor4
1
Department of Theoretical Physics, University of Szeged,
H-6720, Szeged, Tisza L. krt. 80-82., Hungary
2 Department
of Pharmaceutical Analysis, University of Szeged,
H-6720, Szeged, Somogyi Béla u. 4., Hungary
3 Department of Natural Sciences, Polytechnic of the Technical
University of Miskolc,
H-2400, Dunaújváros, Táncsics M. u. 1. , Hungary
4
Research Group on Artificial Intelligence, University of Szeged,
H-6720, Szeged, Aradi vértanúk tere 1., Hungary
Motivation. This report is on the lattice-theoretical characterization of the
‘shape’ of topological sets. The reported procedure is abstract enough
to have a wide area of applications in those fields, where the classification
relies on ‘similarity’ or ‘neighborhoodness’. A possible huge field
is the searching for molecules with predetermined pharmacological properties.
The targets of comparison can be the various type electron densities
of the interacting molecular systems, when the procedure is able to
give a hierarchically ordered set of more and more detailed shape characterizations,
a distance concept and topology. Actually the shapes of continuous n-variable
functions are investigated and the electron densities are chosen for
representatives of this class, but instead of real-life computations
an easy to grasp artificial example is given.