메뉴 건너뛰기




Volumn 43, Issue 6, 2003, Pages 1860-1871

Discriminating Tests of Information and Topological Indices. Animals and Trees

Author keywords

[No Author keywords available]

Indexed keywords

BENZENE; CHEMICAL BONDS; INDEXING (OF INFORMATION); ISOMERS; OLEFINS; POLYNOMIALS; TREES (MATHEMATICS);

EID: 0344686524     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci025659y     Document Type: Article
Times cited : (10)

References (86)
  • 2
    • 33845378719 scopus 로고
    • Applications of graph theory in chemistry
    • Balaban, A. T. Applications of graph theory in chemistry. J. Chem. Inf. Comput. Sci. 1985, 25, 334-343.
    • (1985) J. Chem. Inf. Comput. Sci. , vol.25 , pp. 334-343
    • Balaban, A.T.1
  • 3
    • 0000969438 scopus 로고
    • Predicting properties of molecules using graph invariants
    • Basak, C.; Niemi, G. J.; Veith, G. D. Predicting properties of molecules using graph invariants. J. Math. Chem. 1991, 7, 243-272.
    • (1991) J. Math. Chem. , vol.7 , pp. 243-272
    • Basak, C.1    Niemi, G.J.2    Veith, G.D.3
  • 12
    • 8544254107 scopus 로고
    • Structural determination of paraffin boiling points
    • Wiener, H. Structural determination of paraffin boiling points. J. Am. Chem. Soc. 1947, 69, 17-20.
    • (1947) J. Am. Chem. Soc. , vol.69 , pp. 17-20
    • Wiener, H.1
  • 13
    • 0000148076 scopus 로고
    • Vapor pressure-temperature relationships among the branched paraffin hydrocarbons
    • Wiener, H. Vapor pressure-temperature relationships among the branched paraffin hydrocarbons. J. Chem. Phys. 1948, 52, 425-430.
    • (1948) J. Chem. Phys. , vol.52 , pp. 425-430
    • Wiener, H.1
  • 14
    • 0001219776 scopus 로고
    • Topological index. A newly proposed quantity characterizing the topological nature of structural isomers of hydrocarbons
    • Hosoya, H. Topological index. A newly proposed quantity characterizing the topological nature of structural isomers of hydrocarbons. Bull. Chem. Soc. Jpn. 1971, 44, 2332-2339.
    • (1971) Bull. Chem. Soc. Jpn. , vol.44 , pp. 2332-2339
    • Hosoya, H.1
  • 15
    • 8644280181 scopus 로고
    • On characterization of molecular branching
    • Randić, M. On characterization of molecular branching. J. Am. Chem. Soc. 1975, 69, 6609-6615.
    • (1975) J. Am. Chem. Soc. , vol.69 , pp. 6609-6615
    • Randić, M.1
  • 17
  • 18
    • 0019798170 scopus 로고
    • Derivation and significance of valence molecular connectivity
    • Kier, L. B.; Hall, L. H. Derivation and significance of valence molecular connectivity. J. Charm. Sci. 1981, 70, 583-589.
    • (1981) J. Charm. Sci. , vol.70 , pp. 583-589
    • Kier, L.B.1    Hall, L.H.2
  • 19
    • 84961488478 scopus 로고
    • Topological indices based on topological distances in molecular graphs
    • Balaban, A. T. Topological indices based on topological distances in molecular graphs. Pure Appl. Chem. 1983, 55, 199-206.
    • (1983) Pure Appl. Chem. , vol.55 , pp. 199-206
    • Balaban, A.T.1
  • 20
    • 0021477860 scopus 로고
    • On molecular identification numbers
    • Randić, M. On molecular identification numbers. J. Chem. Inf. Comput. Sci. 1984, 24, 164-175.
    • (1984) J. Chem. Inf. Comput. Sci. , vol.24 , pp. 164-175
    • Randić, M.1
  • 21
    • 0000680194 scopus 로고
    • Generalized molecular descriptors
    • Randić, M. Generalized molecular descriptors. J. Math. Chem. 1991, 7, 155-168.
    • (1991) J. Math. Chem. , vol.7 , pp. 155-168
    • Randić, M.1
  • 24
    • 0347358195 scopus 로고    scopus 로고
    • Wiener-type topological indices
    • Diudea, M.; Gutman, I. Wiener-type topological indices. Croat. Chem. Acta 1998, 71, 21-51.
    • (1998) Croat. Chem. Acta , vol.71 , pp. 21-51
    • Diudea, M.1    Gutman, I.2
  • 25
    • 0343071989 scopus 로고
    • Information theory, distance matrix, and molecular branching
    • Bonchev, D.; Trinajstić, N. Information theory, distance matrix, and molecular branching. J. Chem. Phys. 1977, 38, 4517-4533.
    • (1977) J. Chem. Phys. , vol.38 , pp. 4517-4533
    • Bonchev, D.1    Trinajstić, N.2
  • 26
    • 84987080974 scopus 로고
    • On topological characterization of molecular branching
    • Bonchev, D.; Trinajstić, N. On topological characterization of molecular branching. Int. J. Quantum Chem. 1978, S12, 293-303.
    • (1978) Int. J. Quantum Chem. , vol.S12 , pp. 293-303
    • Bonchev, D.1    Trinajstić, N.2
  • 27
    • 0005389671 scopus 로고
    • Mathematical models of branching
    • Bonchev, D.; Knop, J. V.; Trinajstić, N. Mathematical models of branching. MATCH 1979, 6, 21-47.
    • (1979) MATCH , vol.6 , pp. 21-47
    • Bonchev, D.1    Knop, J.V.2    Trinajstić, N.3
  • 30
    • 84986525813 scopus 로고
    • Isomer discrimination by topological information approach
    • Bonchev, D.; Mekenyan, O.; Trinajstić, N. Isomer discrimination by topological information approach. J. Comput. Chem. 1981, 2, 127-148.
    • (1981) J. Comput. Chem. , vol.2 , pp. 127-148
    • Bonchev, D.1    Mekenyan, O.2    Trinajstić, N.3
  • 31
  • 32
    • 84988058305 scopus 로고
    • Discrimination of isomeric structures using information theoretic topological indices
    • Raychaudhary, C.; Ray, S. K.; Ghosh, J. J.; Roy, A. B.; Basak, S. C. Discrimination of isomeric structures using information theoretic topological indices. J. Comput. Chem. 1984, 5, 581-588.
    • (1984) J. Comput. Chem. , vol.5 , pp. 581-588
    • Raychaudhary, C.1    Ray, S.K.2    Ghosh, J.J.3    Roy, A.B.4    Basak, S.C.5
  • 34
    • 0010681380 scopus 로고
    • Numerical modelling of chemical structures: Local graph invariants and topological indices
    • King, R. B., Rouvray, D. H., Eds.; Elsevier: Amsterdam
    • Balaban, A. T. Numerical modelling of chemical structures: local graph invariants and topological indices. In Graph Theory and Topology; King, R. B., Rouvray, D. H., Eds.; Elsevier: Amsterdam, 1987; pp 159-176.
    • (1987) Graph Theory and Topology , pp. 159-176
    • Balaban, A.T.1
  • 35
    • 0009911271 scopus 로고
    • Sensitivity of topological indices of polycyclic graphs
    • Russian
    • Konstantinova, E. V.; Paleev, A. A. Sensitivity of topological indices of polycyclic graphs. Vychisl. Sistemy 1990, 136, 38-48 (Russian).
    • (1990) Vychisl. Sistemy , vol.136 , pp. 38-48
    • Konstantinova, E.V.1    Paleev, A.A.2
  • 37
    • 5244364136 scopus 로고    scopus 로고
    • The discrimination ability of some topological and information distance indices for graphs of unbranched hexagonal systems
    • Konstantinova, E. V. The discrimination ability of some topological and information distance indices for graphs of unbranched hexagonal systems. J. Chem. Inf. Comput. Sci. 1996, 36, 54-57.
    • (1996) J. Chem. Inf. Comput. Sci. , vol.36 , pp. 54-57
    • Konstantinova, E.V.1
  • 38
    • 0001588727 scopus 로고    scopus 로고
    • The Wiener polynomial derivatives and other topological indices in chemical research
    • Konstantinova, E. V.; Diudea, M. V. The Wiener polynomial derivatives and other topological indices in chemical research. Croat. Chem. Acta 2000, 73, 383-403.
    • (2000) Croat. Chem. Acta , vol.73 , pp. 383-403
    • Konstantinova, E.V.1    Diudea, M.V.2
  • 39
    • 0003012394 scopus 로고    scopus 로고
    • On highly discriminating molecular topological index
    • Chang-Yu, H.; Lu, X. On highly discriminating molecular topological index. J. Chem. Inf. Comput. Sci. 1996, 36, 82-90.
    • (1996) J. Chem. Inf. Comput. Sci. , vol.36 , pp. 82-90
    • Chang-Yu, H.1    Lu, X.2
  • 40
    • 0344178253 scopus 로고
    • Graphical enumeration problems
    • Academic Press: London; Chapter 1
    • Harary, F. Graphical enumeration problems. In Graph Theory and Theoretical Physics; Academic Press: London, 1967; Chapter 1, pp 1-41.
    • (1967) Graph Theory and Theoretical Physics , pp. 1-41
    • Harary, F.1
  • 43
    • 0037901941 scopus 로고    scopus 로고
    • Polyominoes
    • Goodman, J. E., et al., Eds.; CRC Press Series on Discrete Mathematics and its Applications: Boca Raton, FL
    • Klarner, D. A. Polyominoes. In Handbook of Discrete and Computational Geometry; Goodman, J. E., et al., Eds.; CRC Press Series on Discrete Mathematics and its Applications: Boca Raton, FL, 1997; pp 225-240.
    • (1997) Handbook of Discrete and Computational Geometry , pp. 225-240
    • Klarner, D.A.1
  • 49
    • 0000407608 scopus 로고
    • Enumeration and proposed nomenclature of benzenoid cata-condensed polycyclic aromatic hydrocarbons
    • Balaban, A. N.; Harary, F. Enumeration and proposed nomenclature of benzenoid cata-condensed polycyclic aromatic hydrocarbons. Tetrahedron 1968, 24, 2505-2516.
    • (1968) Tetrahedron , vol.24 , pp. 2505-2516
    • Balaban, A.N.1    Harary, F.2
  • 54
    • 0141621814 scopus 로고
    • Generation and enumeration of planar polycyclic aromatic hydrocarbons
    • Wenchen, He; Wenjie, He. Generation and enumeration of planar polycyclic aromatic hydrocarbons. Tetrahedron 1986, 42, 5291-5299.
    • (1986) Tetrahedron , vol.42 , pp. 5291-5299
    • Wenchen, He.1    Wenjie, He.2
  • 55
    • 0141733690 scopus 로고
    • All-benzenoid systems: Enumeration and classification of benzenoid hydrocarbons. VI
    • Cyvin, B. N.; Brunvoll, J.; Cyvin, S. J.; Gutman, I. All-benzenoid systems: enumeration and classification of benzenoid hydrocarbons. VI. MATCH 1988, 23, 163-173.
    • (1988) MATCH , vol.23 , pp. 163-173
    • Cyvin, B.N.1    Brunvoll, J.2    Cyvin, S.J.3    Gutman, I.4
  • 57
    • 0345040884 scopus 로고
    • On the classification of polyhexes
    • Trinajstić, N. On the classification of polyhexes. J. Math. Chem. 1992, 9, 373-380.
    • (1992) J. Math. Chem. , vol.9 , pp. 373-380
    • Trinajstić, N.1
  • 58
    • 0006151069 scopus 로고
    • Generalization of extremal hexagonal animals (polyhexes)
    • Cyvin, S. J. Generalization of extremal hexagonal animals (polyhexes). J. Math. Chem. 1992, 9, 389-390.
    • (1992) J. Math. Chem. , vol.9 , pp. 389-390
    • Cyvin, S.J.1
  • 59
    • 0344609902 scopus 로고
    • Coronenic coronoids: A course in chemical enumeration
    • Cyvin, B. N.; Brunvoll, J.; Rongsi Chen; Cyvin, S. J. Coronenic coronoids: a course in chemical enumeration. MATCH 1993, 29, 131-142.
    • (1993) MATCH , vol.29 , pp. 131-142
    • Cyvin, B.N.1    Brunvoll, J.2    Chen, R.3    Cyvin, S.J.4
  • 60
    • 0344609900 scopus 로고
    • On the total number of polyhexes with 10 hexagons
    • Cyvin, B. N.; Zhang, F.; Guo, X.; Brunvoll, J.; Cyvin, S. J. On the total number of polyhexes with 10 hexagons. MATCH 1993, 29, 143-163.
    • (1993) MATCH , vol.29 , pp. 143-163
    • Cyvin, B.N.1    Zhang, F.2    Guo, X.3    Brunvoll, J.4    Cyvin, S.J.5
  • 61
    • 0040400093 scopus 로고
    • Polycyclic conjugated hydrocarbons with arbitrary ring sizes
    • Cyvin, S. J.; Cyvin, B. N.; Brunvoll, J. Polycyclic conjugated hydrocarbons with arbitrary ring sizes. J. Mol. Struct. 1993, 300, 9-22.
    • (1993) J. Mol. Struct. , vol.300 , pp. 9-22
    • Cyvin, S.J.1    Cyvin, B.N.2    Brunvoll, J.3
  • 62
    • 0039607973 scopus 로고    scopus 로고
    • Isomer enumeration of unbranehed cata-condensed polygonal systems with pentagons and heptagons
    • Cyvin, B. N.; Brunvoll, J.; Cyvin, S. J. Isomer enumeration of unbranehed cata-condensed polygonal systems with pentagons and heptagons. MATCH 1996, 34, 109-121.
    • (1996) MATCH , vol.34 , pp. 109-121
    • Cyvin, B.N.1    Brunvoll, J.2    Cyvin, S.J.3
  • 66
    • 0003780715 scopus 로고
    • Addison-Wesley Publishing Company: London
    • Harary, F. Graph Theory; Addison-Wesley Publishing Company: London, 1971.
    • (1971) Graph Theory
    • Harary, F.1
  • 67
    • 0345040885 scopus 로고
    • A collective property of trees and chemical trees
    • Lepović, M.; Gutman, I. A collective property of trees and chemical trees. J. Chem. Inf. Comput. Sci. 1993, 33, 626-629.
    • (1993) J. Chem. Inf. Comput. Sci. , vol.33 , pp. 626-629
    • Lepović, M.1    Gutman, I.2
  • 68
    • 0000958261 scopus 로고
    • Some recent results in the theory of the Wiener number
    • Gutman, I.; Yeh, Y. N.; Lee, S. L.; Luo, Y. L. Some recent results in the theory of the Wiener number. Indian J. Chem. 1993, 32A, 651-661.
    • (1993) Indian J. Chem. , vol.32 A , pp. 651-661
    • Gutman, I.1    Yeh, Y.N.2    Lee, S.L.3    Luo, Y.L.4
  • 69
    • 30244524022 scopus 로고    scopus 로고
    • Wiener number and intermolecular forces
    • Gutman, I.; Potgiete, J. H. Wiener number and intermolecular forces. J. Serb. Chem. Soc. 1997, 62, 185-192.
    • (1997) J. Serb. Chem. Soc. , vol.62 , pp. 185-192
    • Gutman, I.1    Potgiete, J.H.2
  • 70
    • 0035329265 scopus 로고    scopus 로고
    • Wiener index of trees: Theory and applications
    • Dobrynin, A. A.; Entringer, R.; Gutman I. Wiener index of trees: theory and applications. Acta Appl. Math. 2001, 66, 211-249.
    • (2001) Acta Appl. Math. , vol.66 , pp. 211-249
    • Dobrynin, A.A.1    Entringer, R.2    Gutman, I.3
  • 72
    • 0002345564 scopus 로고
    • A formula for the Wiener number of trees and its extension to graph containing cycles
    • Gutman, I. A formula for the Wiener number of trees and its extension to graph containing cycles. Graph Theory Notes of New York 1994, 27:2, 9-15.
    • (1994) Graph Theory Notes of New York , vol.27 , Issue.2 , pp. 9-15
    • Gutman, I.1
  • 74
    • 0024715163 scopus 로고
    • Topological organic chemistry. 1. Graph theory and topological indices of alkanes
    • Schultz, H. P. Topological organic chemistry. 1. Graph theory and topological indices of alkanes. J. Chem. Inf. Comput. Sci. 1989, 29, 227-228.
    • (1989) J. Chem. Inf. Comput. Sci. , vol.29 , pp. 227-228
    • Schultz, H.P.1
  • 76
    • 0028498920 scopus 로고
    • Selected properties of the Schultz molecular index
    • Gutman, I. Selected properties of the Schultz molecular index. J. Chem. Inf. Comput. Sci. 1994, 34, 1087-1089.
    • (1994) J. Chem. Inf. Comput. Sci. , vol.34 , pp. 1087-1089
    • Gutman, I.1
  • 77
    • 0032445304 scopus 로고    scopus 로고
    • Discriminating power of the Schultz index for cata-condensed benzenoid graphs
    • Dobrynin, A. A. Discriminating power of the Schultz index for cata-condensed benzenoid graphs. MATCH 1998, 38, 19-32.
    • (1998) MATCH , vol.38 , pp. 19-32
    • Dobrynin, A.A.1
  • 82
    • 0041966753 scopus 로고
    • On the correlation between the molecular information topological and mass-spectra indices of orga-nometallic compounds
    • Skorobogatov, V. A.; Konstantinova, E. V.; Nekrasov, Yu. S.; Sukharev, Yu. N.; Tepfer, E. E. On the correlation between the molecular information topological and mass-spectra indices of orga-nometallic compounds. MATCH 1991, 26, 215-228.
    • (1991) MATCH , vol.26 , pp. 215-228
    • Skorobogatov, V.A.1    Konstantinova, E.V.2    Nekrasov, Yu.S.3    Sukharev, Yu.N.4    Tepfer, E.E.5
  • 83
    • 84989031260 scopus 로고
    • Computer processing and interpretation of mass-spectral information. Part IX - Generalized characteristics of mass-spectra
    • Sukharev, Yu. N.; Nekrasov, Yu. S.; Molgacheva, N. S.; Tepfer, E. E. Computer processing and interpretation of mass-spectral information. Part IX - Generalized characteristics of mass-spectra. Org. Mass Spectrom. 1993, 28, 1555-1561.
    • (1993) Org. Mass Spectrom. , vol.28 , pp. 1555-1561
    • Sukharev, Yu.N.1    Nekrasov, Yu.S.2    Molgacheva, N.S.3    Tepfer, E.E.4
  • 84
    • 21344489776 scopus 로고
    • On the relationship between the mass-spectral and structural indices of arylsilanes
    • Nekrasov, Yu. S.; Tepfer, E. E.; Sukharev, Yu. N. On the relationship between the mass-spectral and structural indices of arylsilanes. Russ. Chem. Bull. 1993, 42, 343-346.
    • (1993) Russ. Chem. Bull. , vol.42 , pp. 343-346
    • Nekrasov, Yu.S.1    Tepfer, E.E.2    Sukharev, Yu.N.3
  • 85
    • 0041465574 scopus 로고
    • Generalized characteristics of mass-spectra of aromatic compounds and their correlation with the constants of substituents
    • Nekrasov, Yu. S.; Sukharev, Yu. N.; Molgacheva, N. S.; Tepfer, E. E. Generalized characteristics of mass-spectra of aromatic compounds and their correlation with the constants of substituents. Russ. Chem. Bull. 1993, 42, 1986-1990.
    • (1993) Russ. Chem. Bull. , vol.42 , pp. 1986-1990
    • Nekrasov, Yu.S.1    Sukharev, Yu.N.2    Molgacheva, N.S.3    Tepfer, E.E.4
  • 86
    • 0030343245 scopus 로고    scopus 로고
    • Establishment of correlations between the structure and reactivity of molecules in the gas-phase based on information theory
    • Nekrasov, Yu. S.; Sukharev, Yu. N.; Tepfer, E. E.; Molgacheva, N. S. Establishment of correlations between the structure and reactivity of molecules in the gas-phase based on information theory. Russ. Chem. Bull 1996, 45, 2542-2546.
    • (1996) Russ. Chem. Bull , vol.45 , pp. 2542-2546
    • Nekrasov, Yu.S.1    Sukharev, Yu.N.2    Tepfer, E.E.3    Molgacheva, N.S.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.