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Similarity of molecular descriptors: The equivalence of Zagreb indices and walk counts

Research output: Journal contributions › Journal articles › Research › peer-review

Authors

The similarity of 608 molecular descriptors (including topological and geometrical indices) is measured using correlation coefficients. The computations are based on a library of 10946 diverse compounds. As a result, the second Zagreb index M 2 and mwc (3), the molecular walk count of length 3, were found and proven to be affine dependent: mwc (3) = 2M 2.

Translated title of the contributionÄhnlichkeit von molekularen Deskriptoren: Die Äquivalenz von Zagreb-Indizes und Walk Counts
Original languageEnglish
JournalMATCH Communications in mathematical and in computer chemistry
Volume54
Issue number1
Pages (from-to)163-176
Number of pages14
ISSN0340-6253
Publication statusPublished - 2005
Externally publishedYes

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Other publications by the same author(s)

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