ArticleEntropy (Basel, Switzerland)2020
Enumerating Tree-Like Graphs and Polymer Topologies with a Given Cycle Rank.
Article in Entropy (Basel, Switzerland), 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
Cycle rank is an important notion that is widely used to classify, understand, and discover new chemical compounds. We propose a method to enumerate all non-isomorphic tree-like graphs of a given cycle rank with self-loops and no multiple edges. To achieve this, we develop an algorithm to enumerate all non-isomorphic rooted graphs with the required constraints. The idea of our method is to define a canonical representation of rooted graphs and enumerate all non-isomorphic graphs by generating the canonical representation of rooted graphs. An important feature of our method is that for an integer n≥1, it generates all required graphs with
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