Benutzer: Gast  Login
Titel:

Computing cyclic invariants for molecular graphs

Dokumenttyp:
Zeitschriftenaufsatz
Autor(en):
Berger, F., P. Gritzmann and S. de Vries
Abstract:
Ring structures in molecules belong to the most impor-tant substructures for many applications in Computa-tional Chemistry. One typical task is to find an implicitdescription of the ring structure of a molecule. Wepresent efficient algorithms for cyclic graph invariantsthat may serve as molecular descriptors to acceleratedatabase searches. Another task is to construct a well-defined set of rings of a molecular graph explicitly. Wegive a new algorithm for computing the set ofrele-vant cyclesof a gra...     »
Zeitschriftentitel:
Networks
Jahr:
2017
Heft / Issue:
70
Seitenangaben Beitrag:
116 - 131
Reviewed:
ja
Sprache:
en
Volltext / DOI:
doi:10.1002/net.21757
E-ISSN:
1097-0037
Hinweise:
Early View (Online Version of Record published before inclusion in an issue)
Status:
Erstveröffentlichung
TUM Einrichtung:
Lehrstuhl für Angewandte Geometrie und Diskrete Mathematik
 BibTeX