Modified Burden Matrix
Descriptor Category : bcut
c++ entity: member variable
Description
Similar to the Burden matrix, but accounts
for electronegativity terms in the diagonal, and the off-diagonal terms for
connected atoms are the square root of the conventional bond order.
Following is a list with the electronegativity terms for the modified Burden matrix:
Table 1:Atom electronegativity terms for the
modified Burden matrix
| Atom | Value |
| C |
0.00 |
| H |
0.15 |
| N |
0.90 |
| O |
0.90 |
| F |
2.30 |
| Cl |
0.90 |
| Br |
0.80 |
| I |
0.50 |
| S |
0.50 |
| P |
0.50 |
Prototype
Part of the desc_molecular_properties properties.
Obtained by the property selector:
MolProperty<modif_burden_matrixS,Molecule>
Where defined
morpho/cdl/descriptors/properties/desc_mol_properties.hpp
Namespace
morpho::cdl
Inherits from
Property. No inheritance
Arguments
Example
Related Items
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