Morphochem

Wiener index

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

Description

Introduced by Wiener in 1947 as the sum over all bonds of the product of the number of vertices on each side of the bond.

Prototype 

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

    result_type operator()(typename boost::call_traits<argument_type>::param_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 

look to other descriptors

Related Items



References

  1. Wiener, H. "Structural determination of Paraffin boiling points". J.Am.Chem.Soc., 69. 17-20. 1947.
  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