Barysz matrix
Descriptor Category : Temporary calculation
c++ entity: Calculated temporarily during the calculation of the barysz_index
Description
The Barysz distance matrix Dz is a weighted distance matrix accounting simultaneously
for the presence of heteroatoms and multiple bonds in the molecule. Is defined
as:
If i=j and
Otherwise. Z is the atomic number, Zc obviously is the atomic number of carbon
atom; pi is the conventional bond order (see burden matrix)
Prototype
Where defined
Namespace
morpho::cdl
Inherits from
Arguments
Example
Related Items
barysz index
burden matrix
References
- 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
