Abstract
A method is developed for the calculation of a new 3D descriptor of molecular structure, which is the fractal dimension of the histogram of interatomic distances serving as a measure of the structure complexity in the geometric aspect. The new descriptor was found to depend mainly on three factors: the number of atoms in a molecule, the number of bars in the histogram, and the point symmetry group. The fractal dimension of the histogram of interatomic distances was found to be of a very specific character.
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