Maximum Symmetrical Split of Molecular Graphs. Application to Organic Synthesis Design
نویسندگان
چکیده
منابع مشابه
Maximum Symmetrical Split of Molecular Graphs. Application to Organic Synthesis Design
Whereas the potential symmetry of a molecule may be a feature of importance in synthesis design, this one is often difficult to detect visually in the structural formula. In the present article, we describe an efficient algorithm for the perception of this molecular property. We have addressed this problem in terms of graph theory and defined it as the Maximum Symmetrical Split of a molecular g...
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ژورنال
عنوان ژورنال: Journal of Chemical Information and Modeling
سال: 2005
ISSN: 1549-9596,1549-960X
DOI: 10.1021/ci049713h