Walk counts, labyrinthicity, and complexity of acyclic and cyclic graphs and molecules.
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Authors
It is demonstrated how the complexity of a (molecular) graph can be quantified in terms of the walk counts, extremely easily obtained graph invariants that depend on size, branching, cyclicity, and edge and vertex weights (unsaturation, heteroatoms). The influence of symmetry is easily accounted for. The term labyrinthicity is proposed for what is measured by walk counts alone, neglecting symmetry. The total walk count and recently advanced measures of labyrinthicity or complexity are compared with respect to the ordering of structures and to the computational effort required to obtain numerical values.
| Translated title of the contribution | Walk counts, Labyrinthizität und Komplexität von azyklischen und zyklischen Graphen und Molekülen. |
|---|---|
| Original language | English |
| Journal | Journal of Chemical Information and Computer Sciences |
| Volume | 40 |
| Issue number | 1 |
| Pages (from-to) | 99-106 |
| Number of pages | 8 |
| ISSN | 0095-2338 |
| DOIs | |
| Publication status | Published - 2000 |
| Externally published | Yes |
- Chemistry(all)
- Library and Information Sciences
- Computer Science Applications
- Chemical Engineering(all)
ASJC Scopus Subject Areas
- Chemistry