Morphochem

Gutman molecular topological index

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

Description

Similar to the Schultz molecular topological index, is defined as:

 

Equation 1:Gutman MTI.

 

Where delta is the atom's vertex degree, and d is the distance of the shortest path connecting vertices i and j.

Prototype

  template <class Molecule>
  struct gutman_mti : std::unary_function<Molecule,size_t> {

    result_type operator()(const argument_type& m);

  };

Where defined

morpho/cdl/descriptors/topological.hpp

Namespace

morpho::cdl

Inherits from

std::unary_function<Molecule,size_t>

Arguments

ArgumentModel of
Molecule cdl::molecule

Example

refer to other descriptors for an example

Related Items

Schultz molecular topological index
vertex degree
distance matrix

References

  1. Gutman, I. "Selected properties of the Schultz molecular topological index". J.Chem.Inf.Comp.Sci., 34. 1087-1089. 1994.
  2. 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