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

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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.

Titel in ÜbersetzungÄhnlichkeit von molekularen Deskriptoren: Die Äquivalenz von Zagreb-Indizes und Walk Counts
OriginalspracheEnglisch
ZeitschriftMATCH Communications in mathematical and in computer chemistry
Jahrgang54
Ausgabenummer1
Seiten (von - bis)163-176
Anzahl der Seiten14
ISSN0340-6253
PublikationsstatusErschienen - 2005
Extern publiziertJa

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