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Internet Electronic Journal of Molecular Design - IEJMD, ISSN 1538-6414, CODEN IEJMAT
| ABSTRACT - Internet Electron. J. Mol. Des. October 2008, Volume 7, Number 10, 216-224 |
On the Degeneracy of Molecular Identification Number MID06
Damir Vukičević and Tanja Vojković
Internet Electron. J. Mol. Des. 2008, 7, 216-224
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Abstract:
The topological index MID06 (Molecular Identification Number 06) has been
proposed by Chang-Yu Hu and Lu Xu in their paper
“Developing Molecular Identification Numbers by an All-Paths Method”.
It has been tested successfully on a large number of alkane isomers and
molecules containing heteroatoms. Here we analyze the degeneracy of MID06
for alkanes, and we demonstrate that there are many more alkanes then possible
MID06 identifiers. Although MID06 has very good discriminative properties,
it has degenerate values for certain alkane pairs.
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