Efficient enumeration of monocyclic chemical graphs with given path frequencies
نویسندگان
چکیده
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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ژورنال
عنوان ژورنال: Journal of Cheminformatics
سال: 2014
ISSN: 1758-2946
DOI: 10.1186/1758-2946-6-31