-
1
-
-
8644280181
-
On characterization of molecular branching
-
Randic, M. On characterization of molecular branching. J. Am. Chem. Soc. 1975, 97, 6609-6615.
-
(1975)
J. Am. Chem. Soc.
, vol.97
, pp. 6609-6615
-
-
Randic, M.1
-
4
-
-
0000307925
-
Comparative regression analysis. Regressions based on a single descriptor
-
Randic, M. Comparative regression analysis. Regressions based on a single descriptor. Croat. Chem. Acta 1993, 66, 289-312.
-
(1993)
Croat. Chem. Acta
, vol.66
, pp. 289-312
-
-
Randic, M.1
-
5
-
-
0029231541
-
Edge adjacency relationships and a novel topological index related to molecular volume
-
Estrada, E. Edge adjacency relationships and a novel topological index related to molecular volume. J. Chem. Inf. Comput. Sci. 1995, 35, 31-33.
-
(1995)
J. Chem. Inf. Comput. Sci.
, vol.35
, pp. 31-33
-
-
Estrada, E.1
-
6
-
-
0001833313
-
Edge adjacency relationships in molecular graphs containing heteroatoms. A new topological index related to molar volume
-
Estrada, E. Edge adjacency relationships in molecular graphs containing heteroatoms. A new topological index related to molar volume. J. Chem. Inf. Comput. Sci. 1995, 35, 701-707.
-
(1995)
J. Chem. Inf. Comput. Sci.
, vol.35
, pp. 701-707
-
-
Estrada, E.1
-
7
-
-
0001677688
-
Edge adjacency relationships and molecular topographic descriptors
-
Estrada, E.; Ramirez, A. Edge adjacency relationships and molecular topographic descriptors. J. Chem. Inf. Comput. Sci. 1996, 36, 837-843.
-
(1996)
J. Chem. Inf. Comput. Sci.
, vol.36
, pp. 837-843
-
-
Estrada, E.1
Ramirez, A.2
-
8
-
-
0000843813
-
Extension of edge connectivity index, Relationships to line graph indices and QSPR applications
-
Estrada, E.; Guevara, N.; Gutman, I. Extension of edge connectivity index, Relationships to line graph indices and QSPR applications J. Chem. Inf. Comput. Sci. 1998, 38, 428-431.
-
(1998)
J. Chem. Inf. Comput. Sci.
, vol.38
, pp. 428-431
-
-
Estrada, E.1
Guevara, N.2
Gutman, I.3
-
9
-
-
0028803727
-
Correlation of physicochemical properties of alkylphenols with their graph-theoretical ∈ parameter
-
Casch, G. G. Correlation of physicochemical properties of alkylphenols with their graph-theoretical ∈ parameter. Chemosphere 1995, 31, 4307-4315.
-
(1995)
Chemosphere
, vol.31
, pp. 4307-4315
-
-
Casch, G.G.1
-
10
-
-
0042550844
-
Mathematical investigation of the cancerogenic activity of some hormones
-
Lekishvili, T.; Lekishvili, G.; Aleksidze, N. Mathematical investigation of the cancerogenic activity of some hormones. Bull. Georgian Acad. Sci. 1997, 155, 441-443.
-
(1997)
Bull. Georgian Acad. Sci.
, vol.155
, pp. 441-443
-
-
Lekishvili, T.1
Lekishvili, G.2
Aleksidze, N.3
-
11
-
-
0001795159
-
Comparison between the vertex- and edge-connectivity indices for benzenoid hydrocarbons
-
Nikolic, S.; Trinajstic, N. Comparison between the vertex- and edge-connectivity indices for benzenoid hydrocarbons. J. Chem. Inf. Comput. Sci. 1998, 38, 42-46.
-
(1998)
J. Chem. Inf. Comput. Sci.
, vol.38
, pp. 42-46
-
-
Nikolic, S.1
Trinajstic, N.2
-
12
-
-
0000632511
-
Comparison between the structure-boiling points relationships with different descriptors for condensed benzenoids
-
Plavsic, D.; Trinajstic, N.; Amic, D.; Solskic, M. Comparison between the structure-boiling points relationships with different descriptors for condensed benzenoids. New J. Chem. 1998, 22, 1075-1078.
-
(1998)
New J. Chem.
, vol.22
, pp. 1075-1078
-
-
Plavsic, D.1
Trinajstic, N.2
Amic, D.3
Solskic, M.4
-
13
-
-
0042786231
-
Modeling the aqueous solubility of aliphatic alcohols
-
Nikolic, S.; Trinajstic, N. Modeling the aqueous solubility of aliphatic alcohols. SAR QSAK Environ. Res. 1998, 9, 117-126.
-
(1998)
SAR QSAK Environ. Res.
, vol.9
, pp. 117-126
-
-
Nikolic, S.1
Trinajstic, N.2
-
14
-
-
33751392302
-
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
-
15
-
-
0000028240
-
Topological indices based on the line graph of the molecular graph
-
Gutman, I.; Estrada, E. Topological indices based on the line graph of the molecular graph. J. Chem. Inf. Comput. Sci. 1996, 36, 541-543.
-
(1996)
J. Chem. Inf. Comput. Sci.
, vol.36
, pp. 541-543
-
-
Gutman, I.1
Estrada, E.2
-
16
-
-
8544254107
-
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
-
17
-
-
0001219776
-
Topological index. a newly proposed quantity characterizing topological nature of structural isomers of saturated hydrocarbons
-
Hosoya, H. Topological index. A newly proposed quantity characterizing 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
-
18
-
-
84986468712
-
Combinatorial models and algorithms in chemistry. the expanded Wiener number-A novel topological index
-
Tratch, S. S.; Stankevich, M. I.; Zefirov, N. S. Combinatorial models and algorithms in chemistry. The expanded Wiener number-A novel topological index. J. Comput. Chem. 1990, 8, 899-908.
-
(1990)
J. Comput. Chem.
, vol.8
, pp. 899-908
-
-
Tratch, S.S.1
Stankevich, M.I.2
Zefirov, N.S.3
-
19
-
-
0024715163
-
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, 277-288.
-
(1989)
J. Chem. Inf. Comput. Sci.
, vol.29
, pp. 277-288
-
-
Schultz, H.P.1
-
20
-
-
0000984584
-
Novel molecular description for structure-property studies
-
Randic, M. Novel molecular description for structure-property studies. Chem. Phys. Lett. 1993, 211, 478-483.
-
(1993)
Chem. Phys. Lett.
, vol.211
, pp. 478-483
-
-
Randic, M.1
-
21
-
-
0031446792
-
Cluj matrix, Cju: Source of various graph descriptors
-
Diudea, M. V. Cluj matrix, Cju: source of various graph descriptors. Commun. Math. Comput. Chem. (MATCH) 1997, 35, 169-183.
-
(1997)
Commun. Math. Comput. Chem. (MATCH)
, vol.35
, pp. 169-183
-
-
Diudea, M.V.1
-
22
-
-
0000864576
-
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
-
23
-
-
0021477860
-
On molecular identification numbers
-
Randic, 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
-
-
Randic, M.1
-
24
-
-
0002333360
-
Restricted random walks on graphs
-
Randic, M. Restricted random walks on graphs. Theor. Chim. Acta 1995, 92, 97-106.
-
(1995)
Theor. Chim. Acta
, vol.92
, pp. 97-106
-
-
Randic, M.1
-
25
-
-
0039987041
-
New centric indexes for acyclic molecules (trees) and substituants (rooted trees), and coding of rooted trees
-
Balaban, A. T.; Bertelsen, S.; Basak, S. C. New centric indexes for acyclic molecules (trees) and substituants (rooted trees), and coding of rooted trees. Commun. Math. Comput. Chem. (MATCH) 1994, 30, 55-72.
-
(1994)
Commun. Math. Comput. Chem. (MATCH)
, vol.30
, pp. 55-72
-
-
Balaban, A.T.1
Bertelsen, S.2
Basak, S.C.3
-
26
-
-
22544476470
-
A graph-theoretical approach to structure-property relationships
-
(a) Mihalic, Z.; Trinajstic, N. A graph-theoretical approach to structure-property relationships. J. Chem. Educ. 1992, 69, 701-712.
-
(1992)
J. Chem. Educ.
, vol.69
, pp. 701-712
-
-
Mihalic, Z.1
Trinajstic, N.2
-
27
-
-
9644276263
-
On the Harary index for the characterization of chemical graphs
-
(b) Plavsic, D.; Nikolic, S.; Trinajstic, N.; Mihalic, Z. On the Harary index for the characterization of chemical graphs. J. Math. Chem. 1993, 12, 235-250.
-
(1993)
J. Math. Chem.
, vol.12
, pp. 235-250
-
-
Plavsic, D.1
Nikolic, S.2
Trinajstic, N.3
Mihalic, Z.4
-
28
-
-
9444296174
-
Highly discriminating distance-based topological index
-
Balaban, A. T. Highly discriminating distance-based topological index. Chem. Phys. Lett. 1982, 89, 399-404.
-
(1982)
Chem. Phys. Lett.
, vol.89
, pp. 399-404
-
-
Balaban, A.T.1
-
29
-
-
84988058305
-
Discrimination of isomeric structures using information theoretic topological indices
-
Raychadhury, 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, 581-488.
-
(1984)
J. Comput. Chem.
, vol.5
, pp. 581-1488
-
-
Raychadhury, C.1
Ray, S.K.2
Ghosh, J.J.3
Roy, A.B.4
Basak, S.C.5
-
30
-
-
0343071989
-
Information theory, distance matrix and molecular branching
-
Bonchev, D.; Trinajstic, N. Information theory, distance matrix and molecular branching. J. Chem. Phys. 1977, 67, 4517-4533.
-
(1977)
J. Chem. Phys.
, vol.67
, pp. 4517-4533
-
-
Bonchev, D.1
Trinajstic, N.2
-
31
-
-
0010723693
-
Design of topological indices. Part 2. Distance measure connectivity indices
-
Balaban, A. T.; Ciubotariu, D.; Ivanciuc, O. Design of topological indices. Part 2. Distance measure connectivity indices. Commun. Math. Comput. Chem. (MATCH) 1990, 25, 41-70.
-
(1990)
Commun. Math. Comput. Chem. (MATCH)
, vol.25
, pp. 41-70
-
-
Balaban, A.T.1
Ciubotariu, D.2
Ivanciuc, O.3
-
32
-
-
0000651513
-
Real number vertex invariants: Regressive distance sums and related topological indices
-
Balaban, A. T. Diudea, M. V. Real number vertex invariants: Regressive distance sums and related topological indices. J. Chem. Inf. Comput. Sci. 1993, 33, 421-428.
-
(1993)
J. Chem. Inf. Comput. Sci.
, vol.33
, pp. 421-428
-
-
Balaban, A.T.1
Diudea, M.V.2
-
33
-
-
0028497713
-
Layer matrices in molecular graphs
-
Diudea, M. V. Layer matrices in molecular graphs. J. Chem. Inf. Comput. Sci. 1994, 34, 1064-1071.
-
(1994)
J. Chem. Inf. Comput. Sci.
, vol.34
, pp. 1064-1071
-
-
Diudea, M.V.1
-
34
-
-
0029233860
-
Molecular topology. 15, 3D distance matrices and related topological indices
-
Diudea, M. V.; Horvath, D.; Graovac, A. Molecular topology. 15, 3D distance matrices and related topological indices. J. Chem. Inf. Comput. Sci. 1995, 35, 129-135.
-
(1995)
J. Chem. Inf. Comput. Sci.
, vol.35
, pp. 129-135
-
-
Diudea, M.V.1
Horvath, D.2
Graovac, A.3
-
35
-
-
33751500112
-
Topological indices and real number vertex invariants based on graph eigenvalues and eigenvectors
-
Balaban, A. T.; Ciubotariu, D.; Medeleanu, M. Topological indices and real number vertex invariants based on graph eigenvalues and eigenvectors. J. Chem. Inf. Comput. Sci. 1991, 31, 517-523.
-
(1991)
J. Chem. Inf. Comput. Sci.
, vol.31
, pp. 517-523
-
-
Balaban, A.T.1
Ciubotariu, D.2
Medeleanu, M.3
-
36
-
-
0000680194
-
Generalized molecular descriptors
-
Randic, M. Generalized molecular descriptors. J. Math. Chem. 1991, 7, 155-168.
-
(1991)
J. Math. Chem.
, vol.7
, pp. 155-168
-
-
Randic, M.1
-
39
-
-
0000663216
-
Viewpoint 4-Comparative structure-property studies: The connectivity basis
-
Randic, M.; Trinajstic, N. Viewpoint 4-Comparative structure-property studies: The connectivity basis. J. Mol. Struct. (THEOCHEM) 1993, 284, 209-221.
-
(1993)
J. Mol. Struct. (THEOCHEM)
, vol.284
, pp. 209-221
-
-
Randic, M.1
Trinajstic, N.2
-
40
-
-
0001616481
-
In search for graph invariants of chemical interest
-
Randic, M.; Trinajstic, N. In search for graph invariants of chemical interest. J. Mol. Struct. (THEOCHEM) 1993, 300, 551-572.
-
(1993)
J. Mol. Struct. (THEOCHEM)
, vol.300
, pp. 551-572
-
-
Randic, M.1
Trinajstic, N.2
-
41
-
-
0024034894
-
Molecular modeling of the physical properties of alkanes
-
Needham, D. E.; Wei, I.-C.; Seybold, P. G. Molecular modeling of the physical properties of alkanes. J. Am. Chem. Soc. 1988, 110, 4186-4194.
-
(1988)
J. Am. Chem. Soc.
, vol.110
, pp. 4186-4194
-
-
Needham, D.E.1
Wei, I.-C.2
Seybold, P.G.3
|