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Volumn 43, Issue 4, 2003, Pages 1110-1114

Atomic walk counts of negative order

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; CHEMICAL BONDS; GRAPH THEORY; MATRIX ALGEBRA; VECTORS;

EID: 0042199133     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci025655t     Document Type: Article
Times cited : (7)

References (22)
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  • 2
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    • Walk counts, labyrinthicity, and complexity
    • Rücker, G.; Rücker, C. Walk Counts, Labyrinthicity, and Complexity, Chem. Inf. Comput. Chem. 2000, 40, 99-106.
    • (2000) Chem. Inf. Comput. Chem. , vol.40 , pp. 99-106
    • Rücker, G.1    Rücker, C.2
  • 4
    • 0035526172 scopus 로고    scopus 로고
    • Substructures, subgraphs, and walk counts as measures of the complexity of graphs and molecules
    • 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.
    • (2001) J. Chem. Inf. Comput. Chem. , vol.41 , pp. 1457-1462
    • Rücker, G.1    Rücker, C.2
  • 5
    • 0011923323 scopus 로고    scopus 로고
    • On molecular complexity indices
    • Rouvray, D. H., Bonchev, D., Eds.; Francis and Taylor: London, in press
    • 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.
    • Complexity
    • Nikolić, S.1    Trinajstić, N.2    Tolić, I.M.3    Rücker, G.4    Rücker, C.5
  • 6
    • 0003780715 scopus 로고
    • 2nd printing; Addison-Wesley: Reading, MA
    • Harary, F. Graph Theory, 2nd printing; Addison-Wesley: Reading, MA, 1971.
    • (1971) Graph Theory
    • Harary, F.1
  • 8
    • 0027658970 scopus 로고
    • Counts of all walks as atomic and molecular descriptors
    • Rücker, G.; Rücker, C. Counts of All Walks as Atomic and Molecular Descriptors. J. Chem. Inf. Comput. Chem. 1993, 33, 683-695.
    • (1993) J. Chem. Inf. Comput. Chem. , vol.33 , pp. 683-695
    • Rücker, G.1    Rücker, C.2
  • 10
    • 0035353652 scopus 로고    scopus 로고
    • Graph valence shells as molecular descriptors
    • Randić, M. Graph Valence Shells as Molecular Descriptors. J. Chem. Inf. Comput. Sci. 2001, 41, 627-630.
    • (2001) J. Chem. Inf. Comput. Sci. , vol.41 , pp. 627-630
    • Randić, M.1
  • 11
    • 0037128341 scopus 로고    scopus 로고
    • On relationships between vertex-degrees, path numbers and graph valence shells in trees
    • 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.
    • (2002) Chem. Phys. Lett. , vol.354 , pp. 417-422
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  • 12
    • 0006323760 scopus 로고    scopus 로고
    • Predicting inhibition of microsomal p-hydroxylation of aniline by aliphatic alcohols: A QSAR approach based on the weighted path numbers
    • 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.
    • (2001) Croat. Chem. Acta , vol.74 , pp. 237-250
    • Amić, D.1    Lačić, B.2    Nikolić, S.3    Trinajstić, N.4
  • 13
    • 0041700283 scopus 로고    scopus 로고
    • note
    • 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.
  • 14
    • 0000293407 scopus 로고
    • The generation of a unique machine description for chemical structures - A technique developed at chemical abstracts service
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    • Morgan, H.L.1
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  • 18
    • 0043203114 scopus 로고    scopus 로고
    • note
    • 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.
  • 21
    • 0042702058 scopus 로고    scopus 로고
    • note
    • 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.
  • 22
    • 0043203113 scopus 로고    scopus 로고
    • note
    • k.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.