Morphochem

Harary index

CDL descriptor
Descriptor Category : topological
c++ entity: functor

Description

Descriptor derived from the reciprocal distance matrix, and defined as:

 

Equation 1:Harary Index.

 

Where dij is the value of an element of the distance matrix.

Prototype 

  template <class Molecule>
  struct harary_index : std::unary_function<Molecule,typename Molecule::calc_type> {

    result_type operator()(const argument_type& m);

  };

Where defined

morpho/cdl/descriptors/topological.hpp

Namespace

morpho::cdl

Inherits from

std::unary_function<Molecule,typename Molecule::calc_type>

Arguments

ArgumentModel of
Molecule cdl::molecule

Example 

look 4 others

Related Items

distance matrix

References

  1. Todeschini, R.; Consonni, V. "Handbook of Molecular Descriptors". Wiley-VCH, Methods and Principles in Medicinal Chemistry. Volume 11. 2000.

Copyright (c) Vladimir Josef Sykora and Morphochem AG 2003