منابع مشابه
Computing bond orders in molecule graphs
In this paper, we deal with restoring missing information in molecule databases: Many data formats only store the atoms’ configuration but omit bond multiplicities. As this information is essential for various applications in chemistry, we consider the problem of recovering bond type information using a scoring function for the possible valences of each atom—the Bond Order Assignment problem. W...
متن کاملComputing Bond Types in Molecule Graphs
In this paper, we deal with restoring missing information in molecule databases: Some data formats only store the atoms’ configuration but omit bond multiplicities. As this information is essential for various applications in chemistry, we consider the problem of recovering bond type information using a scoring function for the possible valences of each atom—the Bond Type Assignment problem. We...
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ABSTRACT Let G=(V,E) be a simple connected graph with vertex set V and edge set E. The Szeged index of G is defined by where respectively is the number of vertices of G closer to u (respectively v) than v (respectively u). If S is a set of size let V be the set of all subsets of S of size 3. Then we define t...
متن کاملTolerance Graphs and Orders
We show that if a tolerance graph is the complement of a comparability graph it is a trapezoid graph, i.e., the complement of an order of interval dimension at most 2. As consequences we are able to give obstructions for the class of bounded tolerance graphs and to give an example of a graph which is alternatingly orientable but not a tolerance graph. We also characterize the tolerance graphs a...
متن کاملBond Graphs
The topic area that has become commonly known as ‘bond graph modeling and simulation’ should be separated into at the one hand the port-based approach to modeling and simulation and at the other hand the bond graph notation that is well suited to represent the port-concept. For this reason both the notation and the concepts directly related to the notation will be separated as much as possible ...
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ژورنال
عنوان ژورنال: Theoretical Computer Science
سال: 2011
ISSN: 0304-3975
DOI: 10.1016/j.tcs.2010.12.063