S. Klavzar et al., LABELING OF BENZENOID SYSTEMS WHICH REFLECTS THE VERTEX-DISTANCE RELATIONS, Journal of chemical information and computer sciences, 35(3), 1995, pp. 590-593
Citations number
33
Categorie Soggetti
Information Science & Library Science","Computer Application, Chemistry & Engineering","Computer Science Interdisciplinary Applications",Chemistry,"Computer Science Information Systems
It is shown that the vertices of benzenoid systems admit a labeling wh
ich reflects their distance relations. To every vertex of a molecular
graph of a benzenoid hydrocarbon a sequence of zeros and ones (a binar
y number) can be associated, such that the number of positions in whic
h these sequences differ is equal to the graph-theoretic vertex distan
ce. It is shown by an example that such labelings can be used not only
for nomenclature purposes but also for fast evaluation of molecular p
arameters based on the graph distance.