Similarity of molecular descriptors: The equivalence of Zagreb indices and walk counts
Publikation: Beiträge in Zeitschriften › Zeitschriftenaufsätze › Forschung › begutachtet
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.
| Titel in Übersetzung | Ähnlichkeit von molekularen Deskriptoren: Die Äquivalenz von Zagreb-Indizes und Walk Counts |
|---|---|
| Originalsprache | Englisch |
| Zeitschrift | MATCH Communications in mathematical and in computer chemistry |
| Jahrgang | 54 |
| Ausgabenummer | 1 |
| Seiten (von - bis) | 163-176 |
| Anzahl der Seiten | 14 |
| ISSN | 0340-6253 |
| Publikationsstatus | Erschienen - 2005 |
| Extern publiziert | Ja |
- Chemie
- Mathematik