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Dokumenttyp:
Zeitschriftenaufsatz 
Autor(en):
Berger, F., P. Gritzmann and S. de Vries 
Titel:
Computing cyclic invariants for molecular graphs 
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:
2018 
Heft / Issue:
in print 
Reviewed:
ja 
Sprache:
en 
E-ISSN:
1097-0037 
Hinweise:
Early View (Online Version of Record published before inclusion in an issue) 
Status:
Verlagsversion / published 
TUM Einrichtung:
Lehrstuhl für Angewandte Geometrie und Diskrete Mathematik