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Walk counts, labyrinthicity, and complexity
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Rücker, G.1
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On walks in molecular graphs
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Gutman, I.; Rücker, C.; Rücker, G. On Walks in Molecular Graphs, J. Chem. Inf. Comput. Chem. 2001, 41, 739-745.
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Substructures, subgraphs, and walk counts as measures of the complexity of graphs and molecules
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Rücker, G.; Rücker, C. Substructures, Subgraphs, and Walk Counts as Measures of the Complexity of Graphs and Molecules. J. Chem. Inf. Comput. Chem. 2001, 41, 1457-1462.
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5
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On molecular complexity indices
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Rouvray, D. H., Bonchev, D., Eds.; Francis and Taylor: London, in press
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Nikolić, S.; Trinajstić, N.; Tolić, I. M.; Rücker, G.; Rücker, C. On Molecular Complexity Indices. In Complexity; Rouvray, D. H., Bonchev, D., Eds.; Francis and Taylor: London, in press.
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Complexity
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Nikolić, S.1
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2nd printing; Addison-Wesley: Reading, MA
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Graph Theory
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Harary, F.1
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8
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Counts of all walks as atomic and molecular descriptors
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Rücker, G.; Rücker, C. Counts of All Walks as Atomic and Molecular Descriptors. J. Chem. Inf. Comput. Chem. 1993, 33, 683-695.
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On walk counts and complexity of general graphs
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Lukovits, I.; Miličević, A.; Nikolić, S.; Trinajstić N. On Walk Counts and Complexity of General Graphs. Internet Electron. J. Mol. Des. 2002, 1, 388-400, http://www.biochempress.com.
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Lukovits, I.1
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0035353652
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Graph valence shells as molecular descriptors
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Randić, M. Graph Valence Shells as Molecular Descriptors. J. Chem. Inf. Comput. Sci. 2001, 41, 627-630.
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Randić, M.1
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11
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On relationships between vertex-degrees, path numbers and graph valence shells in trees
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Lukovits, I.; Nikolić, S.; Trinajstić, N. On Relationships between Vertex-Degrees, Path Numbers and Graph Valence Shells in Trees. Chem. Phys. Lett. 2002, 354, 417-422.
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12
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Predicting inhibition of microsomal p-hydroxylation of aniline by aliphatic alcohols: A QSAR approach based on the weighted path numbers
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Amić, D.; Lačić, B.; Nikolić, S.; Trinajstić N. Predicting Inhibition of Microsomal p-Hydroxylation of Aniline by Aliphatic Alcohols: A QSAR Approach Based on the Weighted Path Numbers. Croat. Chem. Acta 2001, 74, 237-250.
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Trinajstić, N.4
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13
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0041700283
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note
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k are not set apart, and mwc may refer to both concepts. In the present work we have discriminated these two denotations. Similar remarks hold for awc's and twc's.
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14
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0000293407
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The generation of a unique machine description for chemical structures - A technique developed at chemical abstracts service
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Morgan, H. L. The Generation of a Unique Machine Description for Chemical Structures - A Technique Developed at Chemical Abstracts Service. J. Chem. Doc. 1965, 5, 107-113.
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Morgan, H.L.1
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16
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0000961851
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Extended connectivities in chemical graphs
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Razinger, M. Extended Connectivities in Chemical Graphs. Theor. Chim. Acta 1982, 61, 581-586.
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(1982)
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Razinger, M.1
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18
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0043203114
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note
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The cyclopentane graph is a regular graph of degree two. It is also called a 5-cycle. Note that all cycles are regular graphs of degree two.
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20
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0037026947
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Resistance-distance matrix: A computational algorithm and its application
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Babić, D.; Klein, D. J.; Lukovits, I.; Nikolić, S.; Trinajstić, N. Resistance-Distance Matrix: A Computational Algorithm and Its Application, Int. J. Quantum Chem. 2002, 90, 166-176.
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Babić, D.1
Klein, D.J.2
Lukovits, I.3
Nikolić, S.4
Trinajstić, N.5
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21
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0042702058
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note
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3 that there exits palindromic self-returning walks. Note that palindromic self-returning walks are self-reversed and consequently do not appear in pairs. Thus, in the present report we used the above formula without factor 1/2.
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22
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0043203113
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note
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k.
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