Gutman molecular topological index
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
| Argument | Model of |
| Molecule |
cdl::molecule |
Example
refer to other descriptors for an example
Related Items
Schultz molecular topological index
vertex degree
distance matrix
References
- Gutman, I. "Selected properties of the Schultz molecular topological
index". J.Chem.Inf.Comp.Sci., 34. 1087-1089. 1994.
- 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