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Volumn 40, Issue 3, 2000, Pages 631-643

Evaluation in Quantitative Structure-Property Relationship Models of Structural Descriptors Derived from Information-Theory Operators

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EID: 0011998183     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci9900884     Document Type: Article
Times cited : (48)

References (62)
  • 1
    • 85037507060 scopus 로고    scopus 로고
    • Chemistry Department, Penn State University: University Park, PA. E-mail: pcj@psu.edu: www
    • Jurs, P. C. ADAPT; Chemistry Department, Penn State University: University Park, PA. E-mail: pcj@psu.edu: www http://zeus.chem. psu.edu/ADAPT.html.
    • ADAPT
    • Jurs, P.C.1
  • 2
    • 0029230341 scopus 로고
    • Automated Descriptor Selection for Quantitative Structure-Activity Relationships Using Generalized Simulated Annealing
    • Sutter, J. M.; Dixon, S. L.; Jurs, P. C. Automated Descriptor Selection for Quantitative Structure-Activity Relationships Using Generalized Simulated Annealing. J. Chem. Inf. Comput. Sci. 1995, 35, 77-84.
    • (1995) J. Chem. Inf. Comput. Sci. , vol.35 , pp. 77-84
    • Sutter, J.M.1    Dixon, S.L.2    Jurs, P.C.3
  • 3
    • 0000445633 scopus 로고    scopus 로고
    • Prediction of Aqueous Solubility of Organic Compounds from Molecular Structure
    • Mitchell, B. E.; Jurs, P. C. Prediction of Aqueous Solubility of Organic Compounds from Molecular Structure. J. Chem. Inf. Comput. Sci. 1998, 38, 489-496.
    • (1998) J. Chem. Inf. Comput. Sci. , vol.38 , pp. 489-496
    • Mitchell, B.E.1    Jurs, P.C.2
  • 5
    • 0000814863 scopus 로고    scopus 로고
    • 13C Nuclear Magnetic Resonance Spectra of Ribonucleosides Using Multiple Linear Regression Analysis and Neural Networks
    • 13C Nuclear Magnetic Resonance Spectra of Ribonucleosides Using Multiple Linear Regression Analysis and Neural Networks. J. Chem. Inf. Comput. Sci. 1996, 36, 168-172.
    • (1996) J. Chem. Inf. Comput. Sci. , vol.36 , pp. 168-172
    • Clouser, D.L.1    Jurs, P.C.2
  • 6
    • 0025658802 scopus 로고
    • The Microcomputer OASIS System for Predicting the Biological Activity of Chemical Compounds
    • Mekenyan, O.; Karabunarliev, S.; Bonchev, D. The Microcomputer OASIS System for Predicting the Biological Activity of Chemical Compounds. Comput. Chem. 1990, 14, 193-200.
    • (1990) Comput. Chem. , vol.14 , pp. 193-200
    • Mekenyan, O.1    Karabunarliev, S.2    Bonchev, D.3
  • 7
    • 0000489034 scopus 로고
    • A New Development of the OASIS Computer System for Modeling Molecular Properties
    • Mekenyan, O. G.; Karabunarliev, S. H.: Ivanov, J. M.; Dimitrov, D. N. A New Development of the OASIS Computer System for Modeling Molecular Properties. Comput. Chem. 1994, 18, 173-187.
    • (1994) Comput. Chem. , vol.18 , pp. 173-187
    • Mekenyan, O.G.1    Karabunarliev, S.H.2    Ivanov, J.M.3    Dimitrov, D.N.4
  • 8
    • 0027310907 scopus 로고
    • Modeling the Anticancer Action of Some Retinoid Compounds by Making Use of the OASIS Method
    • Bonchev, D.; Mountain, C. F.; Seitz, W. A.; Balaban, A. T. Modeling the Anticancer Action of Some Retinoid Compounds by Making Use of the OASIS Method. J. Med. Chem. 1993, 36, 1562-1569.
    • (1993) J. Med. Chem. , vol.36 , pp. 1562-1569
    • Bonchev, D.1    Mountain, C.F.2    Seitz, W.A.3    Balaban, A.T.4
  • 9
    • 85037500605 scopus 로고    scopus 로고
    • SciVision, Inc.: Burlington, MA. E-mail: scivision@ delphi.com; www
    • SciQSAR, SciVision, Inc.: Burlington, MA. E-mail: scivision@ delphi.com; www http://www.scivision.com.
    • SciQSAR
  • 11
    • 0001321370 scopus 로고
    • QSPR: The Correlation and Quantitative Prediction of Chemical and Physical Properties from Structure
    • Katritzky, A. R.; Lobanov, V. S.; Karelson, M. QSPR: The Correlation and Quantitative Prediction of Chemical and Physical Properties from Structure. Chem. Soc. Rev. 1995, 279-287.
    • (1995) Chem. Soc. Rev. , pp. 279-287
    • Katritzky, A.R.1    Lobanov, V.S.2    Karelson, M.3
  • 12
    • 0001728908 scopus 로고    scopus 로고
    • Quantum-Chemical Descriptors in QSAR/QSPR Studies
    • Karelson, M.; Lobanov, V. S.; Katritzky, A. R. Quantum-Chemical Descriptors in QSAR/QSPR Studies. Chem. Rev. 1996, 96, 1027-1043.
    • (1996) Chem. Rev. , vol.96 , pp. 1027-1043
    • Karelson, M.1    Lobanov, V.S.2    Katritzky, A.R.3
  • 13
    • 0001011568 scopus 로고    scopus 로고
    • QSPR Studies on Vapor Pressure, Aqueous Solubility, and the Prediction of Water-Air Partition Coefficients
    • Katritzky, A. R.; Wang, Y.; Sild, S.; Tamm, T.; Karelson, M. QSPR Studies on Vapor Pressure, Aqueous Solubility, and the Prediction of Water-Air Partition Coefficients. J. Chem. Inf. Comput. Sci. 1998, 38, 720-725.
    • (1998) J. Chem. Inf. Comput. Sci. , vol.38 , pp. 720-725
    • Katritzky, A.R.1    Wang, Y.2    Sild, S.3    Tamm, T.4    Karelson, M.5
  • 14
    • 0001932427 scopus 로고    scopus 로고
    • Normal Boiling Points for Organic Compounds: Correlation and Prediction by a Quantitative Structure-Property Relationship
    • Katritzky, A. R.; Lobanov, V. S.; Karelson, M. Normal Boiling Points for Organic Compounds: Correlation and Prediction by a Quantitative Structure-Property Relationship. J. Chem. Inf. Comput. Sci. 1998, 38, 28-41.
    • (1998) J. Chem. Inf. Comput. Sci. , vol.38 , pp. 28-41
    • Katritzky, A.R.1    Lobanov, V.S.2    Karelson, M.3
  • 15
    • 0032581634 scopus 로고    scopus 로고
    • Quantitative Structure-Property Relationship Study of Normal Boiling Points for Halogen-/ Oxygen-/Sulfur-Containing Organic Compounds Using the CODESSA Program
    • Ivanciuc, O.; Ivanciuc, T.; Balaban, A. T. Quantitative Structure-Property Relationship Study of Normal Boiling Points for Halogen-/ Oxygen-/Sulfur-Containing Organic Compounds Using the CODESSA Program. Tetrahedron 1998, 54, 9129-9142.
    • (1998) Tetrahedron , vol.54 , pp. 9129-9142
    • Ivanciuc, O.1    Ivanciuc, T.2    Balaban, A.T.3
  • 16
    • 0000850395 scopus 로고    scopus 로고
    • Estimation of the Liquid Viscosity of Organic Compounds with a Quantitative Structure-Property Model
    • Ivanciuc, O.; Ivanciuc, T.; Filip, P. A.; Cabrol-Bass, D. Estimation of the Liquid Viscosity of Organic Compounds with a Quantitative Structure-Property Model. J. Chem. Inf. Comput. Sci. 1999, 39, 515-524.
    • (1999) J. Chem. Inf. Comput. Sci. , vol.39 , pp. 515-524
    • Ivanciuc, O.1    Ivanciuc, T.2    Filip, P.A.3    Cabrol-Bass, D.4
  • 17
    • 85037493133 scopus 로고    scopus 로고
    • Molecular Simulations Inc.: San Diego, CA
    • Cerius2 3.0 QSAR+; Molecular Simulations Inc.: San Diego, CA, 1997.
    • (1997) Cerius2 3.0 QSAR+
  • 19
    • 0003816887 scopus 로고
    • Research Studies Press: Letchworth, U.K.
    • Kier, L. B.; Hall, L. H. Molecular Connectivity in Chemistry and Drug Research; Academic Press: New York, 1976. Kier, L. B.; Hall, L. H. Molecular Connectivity in Structure-Activity Analysis; Research Studies Press: Letchworth, U.K., 1986.
    • (1986) Molecular Connectivity in Structure-Activity Analysis
    • Kier, L.B.1    Hall, L.H.2
  • 20
    • 8644280181 scopus 로고
    • On Characterization of Molecular Branching
    • Randić, M. On Characterization of Molecular Branching. J. Am. Chem. Soc. 1975, 97, 6609-6615.
    • (1975) J. Am. Chem. Soc. , vol.97 , pp. 6609-6615
    • Randić, M.1
  • 21
    • 33751392302 scopus 로고
    • Using Real Numbers as Vertex Invariants for Third Generation Topological Indexes
    • Balaban, A. T. Using Real Numbers as Vertex Invariants for Third Generation Topological Indexes. J. Chem. Inf. Comput. Sci. 1992, 32, 23-28.
    • (1992) J. Chem. Inf. Comput. Sci. , vol.32 , pp. 23-28
    • Balaban, A.T.1
  • 22
    • 0028400054 scopus 로고
    • Local versus Global (i.e. Atomic versus Molecular) Numerical Modeling of Molecular Graphs
    • Balaban, A. T. Local versus Global (i.e. Atomic versus Molecular) Numerical Modeling of Molecular Graphs. J. Chem. Inf. Comput. Sci. 1994, 34, 398-402.
    • (1994) J. Chem. Inf. Comput. Sci. , vol.34 , pp. 398-402
    • Balaban, A.T.1
  • 23
    • 0028861241 scopus 로고
    • Local (Atomic) and Global (Molecular) GraphTheoretical Descriptors
    • Balaban, A. T. Local (Atomic) and Global (Molecular) GraphTheoretical Descriptors. SAR QSAR Environ. Res. 1995, 3, 81-95.
    • (1995) SAR QSAR Environ. Res. , vol.3 , pp. 81-95
    • Balaban, A.T.1
  • 24
    • 0001128536 scopus 로고    scopus 로고
    • Graph Theory in Chemistry
    • Schleyer, P. v. R., Allinger, N. L., Clark, T., Gasteiger, J., Kollman, P. A., Schaefer, H. F., III, Schreiner, P. R., Eds.; John Wiley & Sons: Chichester, U.K.
    • Ivanciuc, O.; Balaban, A. T. Graph Theory in Chemistry. In The Encyclopedia of Computational Chemistry; Schleyer, P. v. R., Allinger, N. L., Clark, T., Gasteiger, J., Kollman, P. A., Schaefer, H. F., III, Schreiner, P. R., Eds.; John Wiley & Sons: Chichester, U.K., 1998: pp 1169-1190.
    • (1998) The Encyclopedia of Computational Chemistry , pp. 1169-1190
    • Ivanciuc, O.1    Balaban, A.T.2
  • 25
    • 0002085437 scopus 로고    scopus 로고
    • Historical Development of Topological Indices
    • Devillers, J., Balahan, A. T., Eds.; Gordon and Breach Science Publishers: Amsterdam, The Netherlands
    • Balahan, A. T.; Ivanciuc, O. Historical Development of Topological Indices, In: Topological Indices and Related Descriptors in QSAK and QSPR; Devillers, J., Balahan, A. T., Eds.; Gordon and Breach Science Publishers: Amsterdam, The Netherlands, 1999; pp. 21-57.
    • (1999) Topological Indices and Related Descriptors in QSAK and QSPR , pp. 21-57
    • Balahan, A.T.1    Ivanciuc, O.2
  • 26
    • 0001983209 scopus 로고    scopus 로고
    • The Graph Description of Chemical Structures
    • Devillers, J., Balahan, A. T., Eds.; Gordon and Breach Science Publishers: Amsterdam, The Netherlands
    • Ivanciuc, O.; Balahan, A. T. The Graph Description of Chemical Structures. In Topological Indices and Related Descriptors in QSAR and QSPR; Devillers, J., Balahan, A. T., Eds.; Gordon and Breach Science Publishers: Amsterdam, The Netherlands, 1999; pp. 59-167.
    • (1999) Topological Indices and Related Descriptors in QSAR and QSPR , pp. 59-167
    • Ivanciuc, O.1    Balahan, A.T.2
  • 27
    • 0002059831 scopus 로고    scopus 로고
    • Vertex- And Edge-Weighted Molecular Graphs and Derived Structural Descriptors
    • Devillers, J., Balaban, A. T., Eds.; Gordon and Breach Science Publishers: Amsterdam, The Netherlands
    • Ivanciuc, O.; Ivanciuc, T.; Balaban, A. T. Vertex- and Edge-Weighted Molecular Graphs and Derived Structural Descriptors. In Topological Indices and Related Descriptors in QSAR and QSPR; Devillers, J., Balaban, A. T., Eds.; Gordon and Breach Science Publishers: Amsterdam, The Netherlands, 1999; pp 169-220.
    • (1999) Topological Indices and Related Descriptors in QSAR and QSPR , pp. 169-220
    • Ivanciuc, O.1    Ivanciuc, T.2    Balaban, A.T.3
  • 28
    • 0001734218 scopus 로고    scopus 로고
    • Matrices and Structural Descriptors Computed from Molecular Graph Distances
    • Devillers, J., Balaban, A. T., Eds.; Gordon and Breach Science Publishers: Amsterdam, The Netherlands
    • Ivanciuc, O.; Ivanciuc, T. Matrices and Structural Descriptors Computed from Molecular Graph Distances. In Topological Indices and Related Descriptors in QSAR and QSPR; Devillers, J., Balaban, A. T., Eds.; Gordon and Breach Science Publishers: Amsterdam, The Netherlands, 1999; pp 221-277.
    • (1999) Topological Indices and Related Descriptors in QSAR and QSPR , pp. 221-277
    • Ivanciuc, O.1    Ivanciuc, T.2
  • 29
    • 0002441118 scopus 로고    scopus 로고
    • Molecular Graph Matrices and Derived Structural Descriptors
    • Ivanciuc, O.; Ivanciuc, T.; Diudea, M. V. Molecular Graph Matrices and Derived Structural Descriptors. SAR QSAR Environ. Res. 1997, 7, 63-87.
    • (1997) SAR QSAR Environ. Res. , vol.7 , pp. 63-87
    • Ivanciuc, O.1    Ivanciuc, T.2    Diudea, M.V.3
  • 30
    • 0347358195 scopus 로고    scopus 로고
    • Wiener-Type Topological Indices
    • Diudea, M. V.; Gutman, I. Wiener-Type Topological Indices. Croat. Chem. Acta 1998, 71, 21-51.
    • (1998) Croat. Chem. Acta , vol.71 , pp. 21-51
    • Diudea, M.V.1    Gutman, I.2
  • 31
    • 0010004128 scopus 로고
    • New Vertex Invariants and Topological Indices of Chemical Graphs Based on Information on Distances
    • Balaban, A. T.; Balaban, T.-S. New Vertex Invariants and Topological Indices of Chemical Graphs Based on Information on Distances. J. Math. Chem. 1991, 8, 383-397.
    • (1991) J. Math. Chem. , vol.8 , pp. 383-397
    • Balaban, A.T.1    Balaban, T.-S.2
  • 32
    • 0001631204 scopus 로고
    • Correlations Using Topological Indices Based on Real Graph Invariants
    • Balaban, A. T.: Balahan, T.-S. Correlations Using Topological Indices Based on Real Graph Invariants. J. Chim. Phys. Phys.-Chim. Biol. 1992, 89, 1735-1745.
    • (1992) J. Chim. Phys. Phys.-Chim. Biol. , vol.89 , pp. 1735-1745
    • Balaban, A.T.1    Balahan, T.-S.2
  • 33
    • 0039325394 scopus 로고
    • Correlations between Structure and Critical Data or Vapor Pressures of Alkanes by Means of Topological Indices
    • Balaban, A. T.; Feroiu, V. Correlations Between Structure and Critical Data or Vapor Pressures of Alkanes by Means of Topological Indices. Rep. Mol. Theor. 1990, 1, 133-139.
    • (1990) Rep. Mol. Theor. , vol.1 , pp. 133-139
    • Balaban, A.T.1    Feroiu, V.2
  • 34
    • 34250085247 scopus 로고
    • Chemical Graphs with Degenerate Topological Indices Based on Information on Distances
    • Ivanciuc, O.: Balaban, T.-S.; Balaban, A. T. Chemical Graphs with Degenerate Topological Indices Based on Information on Distances. J. Math. Chem. 1993, 14, 21-33.
    • (1993) J. Math. Chem. , vol.14 , pp. 21-33
    • Ivanciuc, O.1    Balaban, T.-S.2    Balaban, A.T.3
  • 35
    • 0011955676 scopus 로고    scopus 로고
    • Degeneracy of Topologic Distance Descriptors for Cubic Molecular Graphs: Examples of Small Fullerenes
    • Ivanciuc, O.; Laidboeur, T.; Cabrol-Bass, D. Degeneracy of Topologic Distance Descriptors for Cubic Molecular Graphs: Examples of Small Fullerenes. J. Chem. Inf. Comput. Sci. 1997, 37, 485-488.
    • (1997) J. Chem. Inf. Comput. Sci. , vol.37 , pp. 485-488
    • Ivanciuc, O.1    Laidboeur, T.2    Cabrol-Bass, D.3
  • 36
    • 85055060804 scopus 로고    scopus 로고
    • Design of Topological Indices. Part 20. Molecular Structure Descriptors Computed with Information on Distances Operators
    • in press
    • Ivanciuc, O.; Balaban, A. T. Design of Topological Indices. Part 20. Molecular Structure Descriptors Computed with Information on Distances Operators. Rev. Roum. Chim., in press.
    • Rev. Roum. Chim.
    • Ivanciuc, O.1    Balaban, A.T.2
  • 37
    • 85037519462 scopus 로고    scopus 로고
    • Design of Topological Indices, Part 21, Molecular Graph Operators for the Computation of Geometric Structural Descriptors
    • in press
    • Ivanciuc, O.; Balaban, A. T. Design of Topological Indices, Part 21, Molecular Graph Operators for the Computation of Geometric Structural Descriptors. Rev. Roum. Chim., in press.
    • Rev. Roum. Chim.
    • Ivanciuc, O.1    Balaban, A.T.2
  • 38
    • 0028465825 scopus 로고
    • Neural Network-Graph Theory Approach to the Prediction of the Physical Properties of Organic Compounds
    • Gakh, A. A.; Gakh, E. G.; Sumpter, B. G.; Noid, D. W. Neural Network-Graph Theory Approach to the Prediction of the Physical Properties of Organic Compounds. J. Chem. Inf. Comput. Sci. 1994, 34, 832-839.
    • (1994) J. Chem. Inf. Comput. Sci. , vol.34 , pp. 832-839
    • Gakh, A.A.1    Gakh, E.G.2    Sumpter, B.G.3    Noid, D.W.4
  • 39
    • 0042285200 scopus 로고    scopus 로고
    • Design of Topological Indices. Part 18. Modeling the Physical Properties of Alkanes with Molecular Graph Descriptors Derived from the Hosoya Operator
    • in press
    • Ivanciuc, O. Design of Topological Indices. Part 18. Modeling the Physical Properties of Alkanes with Molecular Graph Descriptors Derived from the Hosoya Operator. Rev. Roum. Chim., in press.
    • Rev. Roum. Chim.
    • Ivanciuc, O.1
  • 40
    • 0000671741 scopus 로고
    • Design on Topological Indices. I. Definition of a Vertex Topological Index in the Case of 4-Trees
    • Ivanciuc, O. Design on Topological Indices. I. Definition of a Vertex Topological Index in the Case of 4-Trees. Rev. Roum. Chim. 1989, 34, 1361-1368.
    • (1989) Rev. Roum. Chim. , vol.34 , pp. 1361-1368
    • Ivanciuc, O.1
  • 41
    • 0002627242 scopus 로고
    • Computer Generation of Acyclic Graphs Based on Local Vertex Invariants and Topological Indices. Derived Canonical Labeling and Coding of Trees and Alkanes
    • Balahan, T. S.; Filip, P. A.; Ivanciuc, O. Computer Generation of Acyclic Graphs Based on Local Vertex Invariants and Topological Indices. Derived Canonical Labeling and Coding of Trees and Alkanes. J. Math. Chem. 1992. 11, 79-105.
    • (1992) J. Math. Chem. , vol.11 , pp. 79-105
    • Balahan, T.S.1    Filip, P.A.2    Ivanciuc, O.3
  • 42
  • 43
    • 0041834164 scopus 로고
    • Design of Topological Indices. Part 4. Reciprocal Distance Matrix, Related Local Vertex Invariants and Topological Indices
    • Ivanciuc, O.; Balahan, T.-S.; Balaban, A. T. Design of Topological Indices. Part 4. Reciprocal Distance Matrix, Related Local Vertex Invariants and Topological Indices. J. Math. Chem. 1993, 12, 309-318.
    • (1993) J. Math. Chem. , vol.12 , pp. 309-318
    • Ivanciuc, O.1    Balahan, T.-S.2    Balaban, A.T.3
  • 45
    • 0000864576 scopus 로고    scopus 로고
    • M: Wiener-type Numbers of Higher Rank
    • M: Wiener-type Numbers of Higher Rank. J. Chem. Inf. Comput. Sci. 1996, 36, 535-540.
    • (1996) J. Chem. Inf. Comput. Sci. , vol.36 , pp. 535-540
    • Diudea, M.V.1
  • 46
    • 0001490557 scopus 로고    scopus 로고
    • Wiener and Hyper-Wiener Numbers in a Single Matrix
    • Diudea, M. V. Wiener and Hyper-Wiener Numbers in a Single Matrix. J. Chem. Inf. Comput. Sci. 1996, 36, 833-836.
    • (1996) J. Chem. Inf. Comput. Sci. , vol.36 , pp. 833-836
    • Diudea, M.V.1
  • 50
    • 85037499856 scopus 로고    scopus 로고
    • Design of Topological Indices. Part 13. Structural Descriptors Computed from the Szeged Molecular Matrices
    • in press
    • Ivanciuc, O. Design of Topological Indices. Part 13. Structural Descriptors Computed from the Szeged Molecular Matrices. Rev. Roum. Chim., in press.
    • Rev. Roum. Chim.
    • Ivanciuc, O.1
  • 51
    • 0042285201 scopus 로고    scopus 로고
    • Design of Topological Indices. Part 19, Computation of Vertex and Molecular Graph Structural Descriptors with Operators
    • in press
    • Ivanciuc, O. Design of Topological Indices. Part 19, Computation of Vertex and Molecular Graph Structural Descriptors with Operators. Rev. Roum. Chim., in press.
    • Rev. Roum. Chim.
    • Ivanciuc, O.1
  • 52
    • 0000355451 scopus 로고    scopus 로고
    • Design of Topological Indices. Part 10. Parameters Based on Electronegativity and Covalent Radius for the Computation of Molecular Graph Descriptors for Heteroatom-Containing Molecules
    • Ivanciuc, O.; Ivanciuc, T.; Balaban A. T. Design of Topological Indices. Part 10. Parameters Based on Electronegativity and Covalent Radius for the Computation of Molecular Graph Descriptors for Heteroatom-Containing Molecules. J. Chem. Inf. Comput. Sci. 1998, 38, 395-401.
    • (1998) J. Chem. Inf. Comput. Sci. , vol.38 , pp. 395-401
    • Ivanciuc, O.1    Ivanciuc, T.2    Balaban, A.T.3
  • 53
    • 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
  • 54
    • 33947441259 scopus 로고
    • Correlation of Heats of Isomerization and Differences in Heats of Vaporization of Isomers among the Paraffin Hydrocarbons
    • Wiener, H. Correlation of Heats of Isomerization and Differences in Heats of Vaporization of Isomers among the Paraffin Hydrocarbons. J. Am. Chem. Soc. 1947, 69, 2636-2638.
    • (1947) J. Am. Chem. Soc. , vol.69 , pp. 2636-2638
    • Wiener, H.1
  • 55
    • 0001219776 scopus 로고
    • A Newly Proposed Quantity Characterizing the Topological Nature of Structural Isomers of Saturated Hydrocarbons
    • Hosoya, H. A Newly Proposed Quantity Characterizing the Topological Nature of Structural Isomers of Saturated Hydrocarbons. Bull. Chem. Soc. Jpn. 1971, 44, 2332-2339.
    • (1971) Bull. Chem. Soc. Jpn. , vol.44 , pp. 2332-2339
    • Hosoya, H.1
  • 56
    • 0000984584 scopus 로고
    • Novel Molecular Descriptor for Structure-Property Studies
    • Randić, M. Novel Molecular Descriptor for Structure-Property Studies. Chem. Phys. Lett. 1993, 211, 478-483.
    • (1993) Chem. Phys. Lett. , vol.211 , pp. 478-483
    • Randić, M.1
  • 59
    • 0029229739 scopus 로고
    • On the Definition of the Hyper-Wiener Index for Cycle-Containing Structures
    • Klein, D. J.; Lukovits, I.; Gutman, I. On the Definition of the Hyper-Wiener Index for Cycle-Containing Structures. J. Chem. Inf. Comput. Sci. 1995, 35, 50-52.
    • (1995) J. Chem. Inf. Comput. Sci. , vol.35 , pp. 50-52
    • Klein, D.J.1    Lukovits, I.2    Gutman, I.3
  • 60
    • 2542500115 scopus 로고    scopus 로고
    • New Topological Matrices and Their Polynomials
    • Ivanciuc, O.; Diudea, M. V.; Khadikar, P. V. New Topological Matrices and Their Polynomials. Ind. J. Chem. 1998, 37A, 574-585.
    • (1998) Ind. J. Chem. , vol.37 A , pp. 574-585
    • Ivanciuc, O.1    Diudea, M.V.2    Khadikar, P.V.3
  • 61
    • 85037497443 scopus 로고    scopus 로고
    • Design of Topological Indices, Part 14. Distance-Valency Matrices and Structural Descriptors for Vertex- And Edge-Weighted Molecular Graphs
    • in press
    • Ivanciuc, O. Design of Topological Indices, Part 14. Distance-Valency Matrices and Structural Descriptors for Vertex- and Edge-Weighted Molecular Graphs. Rev. Roum. Chim., in press.
    • Rev. Roum. Chim.
    • Ivanciuc, O.1


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