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Kier and Hall valence connectivity indices
Definition:
- valence connectivity for the k-th
atom in the molecular graph
Zk - the total number of electrons in the k-th atom
- the number of valence electrons in the k-th atom
Hk - the
number of hydrogen atoms directly attached to the kth non-hydrogen atom
m
= 0 - atomic valence connectivity indices
m
= 1 - one bond path valence connectivity indices
m
= 2 - two bond fragment valence connectivity indices
m
= 3 three contiguous bond fragment valence connectivity indices etc.
References:
- L. B. Kier, L. H. Hall, Eur. J. Med. Chem., 1977, 12,
307.
- L. B. Kier, L. H. Hall, J.
Pharm. Sci., 1981, 70, 583.
- L. B.
Kier, L. H. Hall, Molecular Connectivity in
Structure-Activity Analysis, J. Wiley & Sons, New York, 1986.
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