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Solved and Unsolved Problems in Chemical Graph Theory
1993Abstract Chemistry and graph theory meet in several areas which are briefly reviewed. A few solved and unsolved problems are discussed: generalized centers in cyclic graphs; irreducible sequences in polymers; cages; spectral graph theoretical problems; k-factorable graphs with k≥ 1, and perfect matchings with k = 1.
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Information-Theoretic Methods in Chemical Graph Theory
2011During recent years, information theory has been used extensively in chemistry for describing chemical structures and providing good correlations between physicochemical and structural properties. In this chapter, we present a survey on information-theoretic methods which are used in chemical graph theory.
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Applications of Chemical Graph Theory to Organic Molecules
2011The full combinatorial search algorithm and the greedy search algorithm have been used on a set of molecular connectivity indices, five experimental parameters and the molar mass to extract the best descriptor for 12 properties of a set of organic solvents.
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Investigation of chemical space networks using graph measures and random matrix theory
Journal of Mathematical Chemistry, 2022Santosh Kumar +2 more
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Predicting the acute ecotoxicity of chemical substances by machine learning using graph theory
Chemosphere, 2020Masaaki Hosomi +2 more
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Ante Graovac and Chemical Graph Theory.
Ars Math. Contemp., 2016Fowler, Patrick W., Pisanski, Tomaž
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