-
1
-
-
9444296174
-
Highly discriminating distance-based topological index
-
A. Balaban, Highly discriminating distance-based topological index. Chem. Phys. Lett. 89, 399-404 (1982).
-
(1982)
Chem. Phys. Lett.
, vol.89
, pp. 399-404
-
-
Balaban, A.1
-
2
-
-
0023980692
-
Branching in graphs and molecules
-
S. Bertz, Branching in graphs and molecules. Discret. Appl. Math. 19, 65-83 (1988).
-
(1988)
Discret. Appl. Math.
, vol.19
, pp. 65-83
-
-
Bertz, S.1
-
3
-
-
0000621555
-
Constant time generation of rooted trees
-
T. Beyer, S. Hedetniemi, Constant time generation of rooted trees. SIAM J. Comput. 9, 706-712 (1980).
-
(1980)
SIAM J. Comput.
, vol.9
, pp. 706-712
-
-
Beyer, T.1
Hedetniemi, S.2
-
5
-
-
84892197404
-
-
New York: Springer
-
D. Bonchev, D. H. Rouvray, Complexity in Chemistry, Biology, and Ecology. Mathematical and Computational Chemistry (Springer, New York, 2005).
-
(2005)
Complexity in Chemistry, Biology, and Ecology. Mathematical and Computational Chemistry
-
-
Bonchev, D.1
Rouvray, D.H.2
-
6
-
-
0000273659
-
Topological order in molecules 1. Molecular branching revisited
-
D. Bonchev, Topological order in molecules 1. Molecular branching revisited. J. Mol. Struct. (Theochem) 336, 137-156 (1995).
-
(1995)
J. Mol. Struct. (Theochem)
, vol.336
, pp. 137-156
-
-
Bonchev, D.1
-
7
-
-
0035470256
-
Topological analysis of long-chain branching patterns in polyolefins
-
D. Bonchev, E. Markel, A. Dekmezian, Topological analysis of long-chain branching patterns in polyolefins. J. Chem. Inf. Comput. Sci. 51(5), 1274-1285 (2001).
-
(2001)
J. Chem. Inf. Comput. Sci.
, vol.51
, Issue.5
, pp. 1274-1285
-
-
Bonchev, D.1
Markel, E.2
Dekmezian, A.3
-
8
-
-
0343071989
-
Information theory, distance matrix, and molecular branching
-
D. Bonchev, N. Trinajstic, Information theory, distance matrix, and molecular branching. J. Chem. Phys. 67(10), 4517-4533 (1977).
-
(1977)
J. Chem. Phys.
, vol.67
, Issue.10
, pp. 4517-4533
-
-
Bonchev, D.1
Trinajstic, N.2
-
9
-
-
84987080974
-
On topological characterization of molecular branching
-
D. Bonchev, N. Trinajstic, On topological characterization of molecular branching. Int. J. Quant. Chem. 12, 293-303 (1978).
-
(1978)
Int. J. Quant. Chem.
, vol.12
, pp. 293-303
-
-
Bonchev, D.1
Trinajstic, N.2
-
11
-
-
33751416849
-
Offdiagonal complexity: a computationally quick complexity measure for graphs and networks
-
J. Claussen, Offdiagonal complexity: a computationally quick complexity measure for graphs and networks. Phys. Stat. Mech. Appl. 375(1), 365-373 (2007).
-
(2007)
Phys. Stat. Mech. Appl.
, vol.375
, Issue.1
, pp. 365-373
-
-
Claussen, J.1
-
12
-
-
44749091859
-
Information processing in complex networks: graph entropy and information functionals
-
M. Dehmer, Information processing in complex networks: graph entropy and information functionals. J. Appl. Math. Comput. 201, 82-94 (2008).
-
(2008)
J. Appl. Math. Comput.
, vol.201
, pp. 82-94
-
-
Dehmer, M.1
-
14
-
-
84860190559
-
Information theory of networks
-
M. Dehmer, Information theory of networks. Symmetry 3, 767-779 (2012).
-
(2012)
Symmetry
, vol.3
, pp. 767-779
-
-
Dehmer, M.1
-
15
-
-
38049038817
-
A comparative analysis of multidimensional features of objects resembling sets of graphs
-
M. Dehmer, F. Emmert-Streib, T. Gesell, A comparative analysis of multidimensional features of objects resembling sets of graphs. Appl. Math. Comput. 196, 221-235 (2008).
-
(2008)
Appl. Math. Comput.
, vol.196
, pp. 221-235
-
-
Dehmer, M.1
Emmert-Streib, F.2
Gesell, T.3
-
16
-
-
84895219944
-
Quantifying structural complexity of graphs: information measures in mathematical chemistry
-
M. Putz (Ed.), New York, NY: Nova Publishing
-
M. Dehmer, F. Emmert-Streib, Y. Tsoy, K. Varmuza, Quantifying structural complexity of graphs: information measures in mathematical chemistry, in Quantum Frontiers of Atoms and Molecules, ed. by M. Putz (Nova Publishing, New York, NY, 2011), pp. 479-498.
-
(2011)
Quantum Frontiers of Atoms and Molecules
, pp. 479-498
-
-
Dehmer, M.1
Emmert-Streib, F.2
Tsoy, Y.3
Varmuza, K.4
-
17
-
-
84857799805
-
Uniquely discriminating molecular structures using eigenvalue-based descriptors
-
M. Dehmer, L. Sivakumar, K. Varmuza, Uniquely discriminating molecular structures using eigenvalue-based descriptors. Match Commun. Math. Comput. Chem. 67(1), 147-172 (2012).
-
(2012)
Match Commun. Math. Comput. Chem.
, vol.67
, Issue.1
, pp. 147-172
-
-
Dehmer, M.1
Sivakumar, L.2
Varmuza, K.3
-
18
-
-
79960325408
-
Networks for systems biology: conceptual connection of data and function
-
F. Emmert-Streib, M. Dehmer, Networks for systems biology: conceptual connection of data and function. IET Syst. Biol. 5, 185-207 (2011).
-
(2011)
IET Syst. Biol.
, vol.5
, pp. 185-207
-
-
Emmert-Streib, F.1
Dehmer, M.2
-
19
-
-
0036345184
-
Extremal chemical trees
-
M. Fischermann, I. Gutman, A. Hoffmann, D. Rautenbach, D. Vidovic, L. Volkmann, Extremal chemical trees. Z. Naturforsch. 57a, 49-52 (2002).
-
(2002)
Z. Naturforsch.
, vol.57 a
, pp. 49-52
-
-
Fischermann, M.1
Gutman, I.2
Hoffmann, A.3
Rautenbach, D.4
Vidovic, D.5
Volkmann, L.6
-
20
-
-
77954457136
-
Augmented Zagreb index
-
B. Furtula, A. Graovac, D. Vukicevic, Augmented Zagreb index. J. Math. Chem. 48(2), 370-380 (2010).
-
(2010)
J. Math. Chem.
, vol.48
, Issue.2
, pp. 370-380
-
-
Furtula, B.1
Graovac, A.2
Vukicevic, D.3
-
23
-
-
0002658584
-
Algebraic characterization of skeletal branching
-
I. Gutman, M. Randic, Algebraic characterization of skeletal branching. Chem. Phys. Lett. 47(1), 15-19 (1977).
-
(1977)
Chem. Phys. Lett.
, vol.47
, Issue.1
, pp. 15-19
-
-
Gutman, I.1
Randic, M.2
-
24
-
-
36749120371
-
Graph theory and molecular orbitals. XII. Acyclic polyenes
-
I. Gutman, B. Ruščić, T. Trinajstic, C. Wilcox Jr, Graph theory and molecular orbitals. XII. Acyclic polyenes. J. Chem. Phys. 62(9), 3399-3405 (1975).
-
(1975)
J. Chem. Phys.
, vol.62
, Issue.9
, pp. 3399-3405
-
-
Gutman, I.1
Ruščić, B.2
Trinajstic, T.3
Wilcox Jr., C.4
-
25
-
-
33845352210
-
Graph theory and molecular orbitals. total φ-electron energy of alternant hydrocarbons
-
I. Gutman, N. Trinajstic, Graph theory and molecular orbitals. total φ-electron energy of alternant hydrocarbons. Chem. Phys. Lett. 17(4), 535-538 (1972).
-
(1972)
Chem. Phys. Lett.
, vol.17
, Issue.4
, pp. 535-538
-
-
Gutman, I.1
Trinajstic, N.2
-
26
-
-
67249148362
-
Exploring network structure, dynamics and function using NetworkX
-
In: G. Varoquaux, T. Vaught, J. Millman (eds.) Pasadena, CA
-
A. Hagberg, D. Schult, P. Swart, Exploring network structure, dynamics and function using NetworkX. In: G. Varoquaux, T. Vaught, J. Millman (eds.) Proceedings of the 7th python in science conference (SciPy2008) (Pasadena, CA, 2008), pp. 11-15.
-
(2008)
Proceedings of the 7th python in science conference (SciPy2008)
, pp. 11-15
-
-
Hagberg, A.1
Schult, D.2
Swart, P.3
-
27
-
-
0006103097
-
Eigenvalues of molecular graphs
-
G. Hall, Eigenvalues of molecular graphs. Bull. Inst. Math. Appl. 17, 70-72 (1981).
-
(1981)
Bull. Inst. Math. Appl.
, vol.17
, pp. 70-72
-
-
Hall, G.1
-
28
-
-
0003780715
-
-
Reading, MA: Addison-Wesley Publishing Company
-
F. Harary, Graph Theory (Addison-Wesley Publishing Company, Reading, MA, 1969).
-
(1969)
Graph Theory
-
-
Harary, F.1
-
29
-
-
0001219776
-
Topological index. A newly proposed quantity characterizing the topological nature of structural isomers of saturated hydrocarbons
-
H. Hosoya, Topological index. A newly proposed quantity characterizing the topological nature of structural isomers of saturated hydrocarbons. Bull. Chem. Soc. Jpn. 44, 2332-2339 (1971).
-
(1971)
Bull. Chem. Soc. Jpn.
, vol.44
, pp. 2332-2339
-
-
Hosoya, H.1
-
30
-
-
0028499620
-
Sensitivity of topological indices to methyl group branching in octanes and azulenes, or what does a topological index index?
-
E. Kirby, Sensitivity of topological indices to methyl group branching in octanes and azulenes, or what does a topological index index? J. Chem. Inf. Comput. Sci. 34, 1030-1035 (1994).
-
(1994)
J. Chem. Inf. Comput. Sci.
, vol.34
, pp. 1030-1035
-
-
Kirby, E.1
-
34
-
-
84860530324
-
Social ontologies as generalized nearly acyclic directed graphs: a quantitative graph model of social tagging
-
M. Dehmer, F. Emmert-Streib, and A. Mehler (Eds.), Boston/Basel: Birkhäuser
-
A. Mehler, Social ontologies as generalized nearly acyclic directed graphs: a quantitative graph model of social tagging, in Towards an Information Theory of Complex Networks: Statistical Methods and Applications, ed. by M. Dehmer, F. Emmert-Streib, A. Mehler (Birkhäuser, Boston/Basel, 2011), pp. 259-319.
-
(2011)
Towards an Information Theory of Complex Networks: Statistical Methods and Applications
, pp. 259-319
-
-
Mehler, A.1
-
35
-
-
78650544547
-
QuACN: an R package for analyzing complex biological networks quantitatively
-
L. Müller, K. Kugler, A. Dander, A. Graber, M. Dehmer, QuACN: an R package for analyzing complex biological networks quantitatively. Bioinformatics 27(1), 140-141 (2011). http://cran. r-project. org/web/packages/QuACN/.
-
(2011)
Bioinformatics
, vol.27
, Issue.1
, pp. 140-141
-
-
Müller, L.1
Kugler, K.2
Dander, A.3
Graber, A.4
Dehmer, M.5
-
36
-
-
0014257683
-
Entropy and the complexity of graphs: I. An index of the relative complexity of a graph
-
A. Mowshowitz, Entropy and the complexity of graphs: I. An index of the relative complexity of a graph. Bull. Math. Biophys. 30(1), 175-204 (1968).
-
(1968)
Bull. Math. Biophys.
, vol.30
, Issue.1
, pp. 175-204
-
-
Mowshowitz, A.1
-
37
-
-
1542512202
-
The Zagreb indices 30 years after
-
S. Nikolic, G. Kovacevic, A. Milicevic, N. Trinajstic, The Zagreb indices 30 years after. Croat. Chem. Acta 76(2), 113-124 (2003).
-
(2003)
Croat. Chem. Acta
, vol.76
, Issue.2
, pp. 113-124
-
-
Nikolic, S.1
Kovacevic, G.2
Milicevic, A.3
Trinajstic, N.4
-
38
-
-
85037048052
-
Python for scientific computing
-
T. Oliphant, Python for scientific computing. Comput. Sci. Eng. 90, 9 (2007).
-
(2007)
Comput. Sci. Eng.
, vol.90
, pp. 9
-
-
Oliphant, T.1
-
39
-
-
0034355063
-
On topological indices indicating branching Part I. The principal component analysis of alkane properties and indices
-
A. Perdih, M. Perdih, On topological indices indicating branching Part I. The principal component analysis of alkane properties and indices. Acta Chim. Slov. 47, 231-259 (2000).
-
(2000)
Acta Chim. Slov.
, vol.47
, pp. 231-259
-
-
Perdih, A.1
Perdih, M.2
-
40
-
-
8644280181
-
On characterization of molecular branching
-
M. Randic, On characterization of molecular branching. J. Am. Chem. Soc. 97(23), 6609-6615 (1975).
-
(1975)
J. Am. Chem. Soc.
, vol.97
, Issue.23
, pp. 6609-6615
-
-
Randic, M.1
-
41
-
-
0003049467
-
Topological organic chemistry. 4. Graph theory, matrix permanents, and topological indices of alkanes
-
H. Schultz, E. Schultz, T. Schultz, Topological organic chemistry. 4. Graph theory, matrix permanents, and topological indices of alkanes. J. Chem. Inf. Comput. Sci. 32(1), 69-72 (1992).
-
(1992)
J. Chem. Inf. Comput. Sci.
, vol.32
, Issue.1
, pp. 69-72
-
-
Schultz, H.1
Schultz, E.2
Schultz, T.3
-
42
-
-
0025325984
-
Interpretation of the correlation coefficient: a basic review
-
R. Taylor, Interpretation of the correlation coefficient: a basic review. J. Diagn. Med. Sonogr. 1, 35-39 (1990).
-
(1990)
J. Diagn. Med. Sonogr.
, vol.1
, pp. 35-39
-
-
Taylor, R.1
-
43
-
-
67650431122
-
-
Weinheim: Wiley
-
R. Todeschini, V. Consonni, Molecular Descriptors for Chemoinformatics, Second, Revised and Enlarged edn. Methods and Principles in Medicinal Chemistry (Wiley, Weinheim, 2009).
-
(2009)
Molecular Descriptors for Chemoinformatics, Second, Revised and Enlarged Edn. Methods and Principles in Medicinal Chemistry
-
-
Todeschini, R.1
Consonni, V.2
-
44
-
-
8544254107
-
Structural determination of paraffin boiling points
-
H. Wiener, Structural determination of paraffin boiling points. J. Am. Chem. Soc. 1(69), 17-20 (1947).
-
(1947)
J. Am. Chem. Soc.
, vol.1
, Issue.69
, pp. 17-20
-
-
Wiener, H.1
-
45
-
-
0022709539
-
Constant time generation of free trees
-
R. Wright, B. Richmond, A. Odlyzko, B. McKay, Constant time generation of free trees. SIAM J. Comput. 15, 540-548 (1986).
-
(1986)
SIAM J. Comput.
, vol.15
, pp. 540-548
-
-
Wright, R.1
Richmond, B.2
Odlyzko, A.3
McKay, B.4
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