Graphs and networks in chemical and biological informatics: past, present and future

2012 ◽  
Vol 4 (16) ◽  
pp. 2039-2047 ◽  
Author(s):  
N Sukumar ◽  
Michael P Krein
2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Michał Ławniczak ◽  
Adam Sawicki ◽  
Małgorzata Białous ◽  
Leszek Sirko

AbstractWe identify and investigate isoscattering strings of concatenating quantum graphs possessing n units and 2n infinite external leads. We give an insight into the principles of designing large graphs and networks for which the isoscattering properties are preserved for $$n \rightarrow \infty $$ n → ∞ . The theoretical predictions are confirmed experimentally using $$n=2$$ n = 2 units, four-leads microwave networks. In an experimental and mathematical approach our work goes beyond prior results by demonstrating that using a trace function one can address the unsettled until now problem of whether scattering properties of open complex graphs and networks with many external leads are uniquely connected to their shapes. The application of the trace function reduces the number of required entries to the $$2n \times 2n $$ 2 n × 2 n scattering matrices $${\hat{S}}$$ S ^ of the systems to 2n diagonal elements, while the old measures of isoscattering require all $$(2n)^2$$ ( 2 n ) 2 entries. The studied problem generalizes a famous question of Mark Kac “Can one hear the shape of a drum?”, originally posed in the case of isospectral dissipationless systems, to the case of infinite strings of open graphs and networks.


1982 ◽  
Vol 10 (1) ◽  
pp. 117-118
Author(s):  
C.J. Pursglove
Keyword(s):  

2021 ◽  
Vol 10 (4) ◽  
pp. 2115-2129
Author(s):  
P. Kandan ◽  
S. Subramanian

On the great success of bond-additive topological indices like Szeged, Padmakar-Ivan, Zagreb, and irregularity measures, yet another index, the Mostar index, has been introduced recently as a peripherality measure in molecular graphs and networks. For a connected graph G, the Mostar index is defined as $$M_{o}(G)=\displaystyle{\sum\limits_{e=gh\epsilon E(G)}}C(gh),$$ where $C(gh) \,=\,\left|n_{g}(e)-n_{h}(e)\right|$ be the contribution of edge $uv$ and $n_{g}(e)$ denotes the number of vertices of $G$ lying closer to vertex $g$ than to vertex $h$ ($n_{h}(e)$ define similarly). In this paper, we prove a general form of the results obtained by $Do\check{s}li\acute{c}$ et al.\cite{18} for compute the Mostar index to the Cartesian product of two simple connected graph. Using this result, we have derived the Cartesian product of paths, cycles, complete bipartite graphs, complete graphs and to some molecular graphs.


Entropy ◽  
2018 ◽  
Vol 20 (7) ◽  
pp. 534 ◽  
Author(s):  
Hector Zenil ◽  
Narsis Kiani ◽  
Jesper Tegnér

We introduce a definition of algorithmic symmetry in the context of geometric and spatial complexity able to capture mathematical aspects of different objects using as a case study polyominoes and polyhedral graphs. We review, study and apply a method for approximating the algorithmic complexity (also known as Kolmogorov–Chaitin complexity) of graphs and networks based on the concept of Algorithmic Probability (AP). AP is a concept (and method) capable of recursively enumerate all properties of computable (causal) nature beyond statistical regularities. We explore the connections of algorithmic complexity—both theoretical and numerical—with geometric properties mainly symmetry and topology from an (algorithmic) information-theoretic perspective. We show that approximations to algorithmic complexity by lossless compression and an Algorithmic Probability-based method can characterize spatial, geometric, symmetric and topological properties of mathematical objects and graphs.


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