engleski

On the Degeneracy of Molecular Identification Number MID06

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.

degeneracy; molecular identification number

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