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

Research output: Journal contributionsJournal articlesResearchpeer-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

Recently viewed

Publications

  1. Size, composition and provenance of fragmental particles in Apollo 14 breccias
  2. Verbund-Simulation - Strategic Planning and Optimization of Integrated Production Networks
  3. Participation and inclusiveness in the Intergovernmental Science–Policy Platform on Biodiversity and Ecosystem Services
  4. The constructs of sustainable supply chain management
  5. Affect, stress, and health
  6. Work = work ≠ work
  7. Grüner Umbau
  8. Chardin
  9. Knowledge sharing for shared success in the decade on ecosystem restoration
  10. “The Secret is to Look Good on Paper”
  11. The longitudinal prediction of costs due to health care uptake and productivity losses in a cohort of employees with and without depression or anxiety.
  12. Mitarbeiter als Erlebnisprovider
  13. Einleitung
  14. The link between supervisory board reporting and firm performance in Germany and Austria
  15. Pluralisierung von Leitbildern - die Lebensentwürfe junger Singles
  16. The defence of necessity
  17. Who benefits from indirect prevention and treatment of depression using an online intervention for insomnia?
  18. Center for the Study of Democracy at Leuphana University Lüneburg
  19. Historii nelze rolišit od jejího zobrazení
  20. THE RADICAL ROLE OF INFORMATION TECHNOLOGIES IN POLITICAL IMAGINATION AND PRODUCTION OF COMMON FUTURE IN BELARUSIAN PROTESTS
  21. Effects of the Neuro-Turn
  22. Flexible transitions from work to retirement in Germany
  23. "Gute Kinder schlechter Eltern"
  24. Entwicklung eines Interviewleitfadens
  25. Krise der Kunstkritik?
  26. Financial Fragility and the Control of Credit
  27. Green chemistry, sustainable agriculture and processing systems
  28. Courbets Zweifel an der Verlässlichkeit des Sehsinns
  29. Werkzeugkiste: 26. Action Learning (AL)
  30. White-Indian Relations
  31. Social Entrepreneurship – Altes Phänomen, neues Paradigma moderner Gesellschaften oder Vorbote eines Kapitalismus 2.0?