Chemical Tree Enumeration Algorithms
نویسندگان
چکیده
The need to generate graphs representing chemical structures suggested the use of computer and as a consequence the delevopment of eecient enumerating algorithms. This paper considers the isomeric acyclic structures enumeration focusin on the alkane molecular family. Two new algorithms based on Reverse Search 7] 8] are presented. The main concern of this paper is to highlight the importance of the asymptotic complexity and running time behaviour in the analysis of enumeration algorithms.
منابع مشابه
Efficient enumeration of monocyclic chemical graphs with given path frequencies
BACKGROUND The enumeration of chemical graphs (molecular graphs) satisfying given constraints is one of the fundamental problems in chemoinformatics and bioinformatics because it leads to a variety of useful applications including structure determination and development of novel chemical compounds. RESULTS We consider the problem of enumerating chemical graphs with monocyclic structure (a gra...
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