User: Guest  Login
Document type:
Zeitschriftenaufsatz 
Author(s):
Berger, F., P. Gritzmann and S. de Vries 
Title:
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...    »
 
Journal title:
Networks 
Year:
2017 
Journal issue:
70 
Pages contribution:
116 - 131 
Reviewed:
ja 
Language:
en 
Fulltext / DOI:
E-ISSN:
1097-0037 
Notes:
Early View (Online Version of Record published before inclusion in an issue) 
Status:
Erstveröffentlichung 
TUM Institution:
Lehrstuhl für Angewandte Geometrie und Diskrete Mathematik