Chemical graph theory - Facts and fiction

Indian Journal of Chemistry - Section A Inorganic, Physical, Theoretical and Analytical Chemistry

Volumn 42, Issue 6, 2003, Pages 1207-1218

  Randić, Milan ^a  

^a NATIONAL INSTITUTE OF CHEMISTRY   (Slovenia)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHM; CHEMICAL STRUCTURE; CHEMISTRY; MATHEMATICS; PHYSICAL CHEMISTRY; PUBLICATION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; QUANTITATIVE STRUCTURE PROPERTY RELATION; QUANTUM CHEMISTRY; REVIEW; THEORY;

EID: 0042061059     PISSN: 03764710     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Review

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46. Klein D J, Topics curr Chem, 153 (1990) 57; Klein D J, J chem Educ, 67 (1990) 633; Klein D J & Trinajstić N, Pure appl Chem, 61 (1989) 2107; Klein D J, Pure appl Chem, 5 (1983) 299; Klein D J, J chem Educ, 69 (1992) 691; Živković T, Randić M, Klein D J, Zhu H Y & Trinajstić N, J comput Chem, 16 (1995) 517; Klein D J, Zhu H, Valenti R & Garcia-Bach M A, Int J quant Chem, 65 (1997) 421; Zhu H & Klein D J, MATCH Commun math Comput Chem, 31 (1994) 205. Zhu H, Balaban A T, Klein D J & Živković T P, J chem Phys, 101 (1994) 5281; Liu X, Schmalz T G & Klein D J, Chem Phys Lett 188 (1992) 550; Seitz W A, Hite G E, Schmalz T G & Klein D J in: King R B & Rouvray D H (eds), Graph theory and topology in chemistry (Elsevier, Amsterdam), 1987; Klein D J, Hite G E & Seitz W A, J comput Chem, 7 (1986) 443.
47. Klein D J, Topics curr Chem, 153 (1990) 57; Klein D J, J chem Educ, 67 (1990) 633; Klein D J & Trinajstić N, Pure appl Chem, 61 (1989) 2107; Klein D J, Pure appl Chem, 5 (1983) 299; Klein D J, J chem Educ, 69 (1992) 691; Živković T, Randić M, Klein D J, Zhu H Y & Trinajstić N, J comput Chem, 16 (1995) 517; Klein D J, Zhu H, Valenti R & Garcia-Bach M A, Int J quant Chem, 65 (1997) 421; Zhu H & Klein D J, MATCH Commun math Comput Chem, 31 (1994) 205. Zhu H, Balaban A T, Klein D J & Živković T P, J chem Phys, 101 (1994) 5281; Liu X, Schmalz T G & Klein D J, Chem Phys Lett 188 (1992) 550; Seitz W A, Hite G E, Schmalz T G & Klein D J in: King R B & Rouvray D H (eds), Graph theory and topology in chemistry (Elsevier, Amsterdam), 1987; Klein D J, Hite G E & Seitz W A, J comput Chem, 7 (1986) 443.
48. Klein D J, Topics curr Chem, 153 (1990) 57; Klein D J, J chem Educ, 67 (1990) 633; Klein D J & Trinajstić N, Pure appl Chem, 61 (1989) 2107; Klein D J, Pure appl Chem, 5 (1983) 299; Klein D J, J chem Educ, 69 (1992) 691; Živković T, Randić M, Klein D J, Zhu H Y & Trinajstić N, J comput Chem, 16 (1995) 517; Klein D J, Zhu H, Valenti R & Garcia-Bach M A, Int J quant Chem, 65 (1997) 421; Zhu H & Klein D J, MATCH Commun math Comput Chem, 31 (1994) 205. Zhu H, Balaban A T, Klein D J & Živković T P, J chem Phys, 101 (1994) 5281; Liu X, Schmalz T G & Klein D J, Chem Phys Lett 188 (1992) 550; Seitz W A, Hite G E, Schmalz T G & Klein D J in: King R B & Rouvray D H (eds), Graph theory and topology in chemistry (Elsevier, Amsterdam), 1987; Klein D J, Hite G E & Seitz W A, J comput Chem, 7 (1986) 443.
49. Klein D J, Topics curr Chem, 153 (1990) 57; Klein D J, J chem Educ, 67 (1990) 633; Klein D J & Trinajstić N, Pure appl Chem, 61 (1989) 2107; Klein D J, Pure appl Chem, 5 (1983) 299; Klein D J, J chem Educ, 69 (1992) 691; Živković T, Randić M, Klein D J, Zhu H Y & Trinajstić N, J comput Chem, 16 (1995) 517; Klein D J, Zhu H, Valenti R & Garcia-Bach M A, Int J quant Chem, 65 (1997) 421; Zhu H & Klein D J, MATCH Commun math Comput Chem, 31 (1994) 205. Zhu H, Balaban A T, Klein D J & Živković T P, J chem Phys, 101 (1994) 5281; Liu X, Schmalz T G & Klein D J, Chem Phys Lett 188 (1992) 550; Seitz W A, Hite G E, Schmalz T G & Klein D J in: King R B & Rouvray D H (eds), Graph theory and topology in chemistry (Elsevier, Amsterdam), 1987; Klein D J, Hite G E & Seitz W A, J comput Chem, 7 (1986) 443.
50. Klein D J, Topics curr Chem, 153 (1990) 57; Klein D J, J chem Educ, 67 (1990) 633; Klein D J & Trinajstić N, Pure appl Chem, 61 (1989) 2107; Klein D J, Pure appl Chem, 5 (1983) 299; Klein D J, J chem Educ, 69 (1992) 691; Živković T, Randić M, Klein D J, Zhu H Y & Trinajstić N, J comput Chem, 16 (1995) 517; Klein D J, Zhu H, Valenti R & Garcia-Bach M A, Int J quant Chem, 65 (1997) 421; Zhu H & Klein D J, MATCH Commun math Comput Chem, 31 (1994) 205. Zhu H, Balaban A T, Klein D J & Živković T P, J chem Phys, 101 (1994) 5281; Liu X, Schmalz T G & Klein D J, Chem Phys Lett 188 (1992) 550; Seitz W A, Hite G E, Schmalz T G & Klein D J in: King R B & Rouvray D H (eds), Graph theory and topology in chemistry (Elsevier, Amsterdam), 1987; Klein D J, Hite G E & Seitz W A, J comput Chem, 7 (1986) 443.
51. Klein D J, Topics curr Chem, 153 (1990) 57; Klein D J, J chem Educ, 67 (1990) 633; Klein D J & Trinajstić N, Pure appl Chem, 61 (1989) 2107; Klein D J, Pure appl Chem, 5 (1983) 299; Klein D J, J chem Educ, 69 (1992) 691; Živković T, Randić M, Klein D J, Zhu H Y & Trinajstić N, J comput Chem, 16 (1995) 517; Klein D J, Zhu H, Valenti R & Garcia-Bach M A, Int J quant Chem, 65 (1997) 421; Zhu H & Klein D J, MATCH Commun math Comput Chem, 31 (1994) 205. Zhu H, Balaban A T, Klein D J & Živković T P, J chem Phys, 101 (1994) 5281; Liu X, Schmalz T G & Klein D J, Chem Phys Lett 188 (1992) 550; Seitz W A, Hite G E, Schmalz T G & Klein D J in: King R B & Rouvray D H (eds), Graph theory and topology in chemistry (Elsevier, Amsterdam), 1987; Klein D J, Hite G E & Seitz W A, J comput Chem, 7 (1986) 443.
52. Klein D J, Topics curr Chem, 153 (1990) 57; Klein D J, J chem Educ, 67 (1990) 633; Klein D J & Trinajstić N, Pure appl Chem, 61 (1989) 2107; Klein D J, Pure appl Chem, 5 (1983) 299; Klein D J, J chem Educ, 69 (1992) 691; Živković T, Randić M, Klein D J, Zhu H Y & Trinajstić N, J comput Chem, 16 (1995) 517; Klein D J, Zhu H, Valenti R & Garcia-Bach M A, Int J quant Chem, 65 (1997) 421; Zhu H & Klein D J, MATCH Commun math Comput Chem, 31 (1994) 205. Zhu H, Balaban A T, Klein D J & Živković T P, J chem Phys, 101 (1994) 5281; Liu X, Schmalz T G & Klein D J, Chem Phys Lett 188 (1992) 550; Seitz W A, Hite G E, Schmalz T G & Klein D J in: King R B & Rouvray D H (eds), Graph theory and topology in chemistry (Elsevier, Amsterdam), 1987; Klein D J, Hite G E & Seitz W A, J comput Chem, 7 (1986) 443.
53. Klein D J, Topics curr Chem, 153 (1990) 57; Klein D J, J chem Educ, 67 (1990) 633; Klein D J & Trinajstić N, Pure appl Chem, 61 (1989) 2107; Klein D J, Pure appl Chem, 5 (1983) 299; Klein D J, J chem Educ, 69 (1992) 691; Živković T, Randić M, Klein D J, Zhu H Y & Trinajstić N, J comput Chem, 16 (1995) 517; Klein D J, Zhu H, Valenti R & Garcia-Bach M A, Int J quant Chem, 65 (1997) 421; Zhu H & Klein D J, MATCH Commun math Comput Chem, 31 (1994) 205. Zhu H, Balaban A T, Klein D J & Živković T P, J chem Phys, 101 (1994) 5281; Liu X, Schmalz T G & Klein D J, Chem Phys Lett 188 (1992) 550; Seitz W A, Hite G E, Schmalz T G & Klein D J in: King R B & Rouvray D H (eds), Graph theory and topology in chemistry (Elsevier, Amsterdam), 1987; Klein D J, Hite G E & Seitz W A, J comput Chem, 7 (1986) 443.
54. Klein D J, Topics curr Chem, 153 (1990) 57; Klein D J, J chem Educ, 67 (1990) 633; Klein D J & Trinajstić N, Pure appl Chem, 61 (1989) 2107; Klein D J, Pure appl Chem, 5 (1983) 299; Klein D J, J chem Educ, 69 (1992) 691; Živković T, Randić M, Klein D J, Zhu H Y & Trinajstić N, J comput Chem, 16 (1995) 517; Klein D J, Zhu H, Valenti R & Garcia-Bach M A, Int J quant Chem, 65 (1997) 421; Zhu H & Klein D J, MATCH Commun math Comput Chem, 31 (1994) 205. Zhu H, Balaban A T, Klein D J & Živković T P, J chem Phys, 101 (1994) 5281; Liu X, Schmalz T G & Klein D J, Chem Phys Lett 188 (1992) 550; Seitz W A, Hite G E, Schmalz T G & Klein D J in: King R B & Rouvray D H (eds), Graph theory and topology in chemistry (Elsevier, Amsterdam), 1987; Klein D J, Hite G E & Seitz W A, J comput Chem, 7 (1986) 443.
55. Klein D J, Topics curr Chem, 153 (1990) 57; Klein D J, J chem Educ, 67 (1990) 633; Klein D J & Trinajstić N, Pure appl Chem, 61 (1989) 2107; Klein D J, Pure appl Chem, 5 (1983) 299; Klein D J, J chem Educ, 69 (1992) 691; Živković T, Randić M, Klein D J, Zhu H Y & Trinajstić N, J comput Chem, 16 (1995) 517; Klein D J, Zhu H, Valenti R & Garcia-Bach M A, Int J quant Chem, 65 (1997) 421; Zhu H & Klein D J, MATCH Commun math Comput Chem, 31 (1994) 205. Zhu H, Balaban A T, Klein D J & Živković T P, J chem Phys, 101 (1994) 5281; Liu X, Schmalz T G & Klein D J, Chem Phys Lett 188 (1992) 550; Seitz W A, Hite G E, Schmalz T G & Klein D J in: King R B & Rouvray D H (eds), Graph theory and topology in chemistry (Elsevier, Amsterdam), 1987; Klein D J, Hite G E & Seitz W A, J comput Chem, 7 (1986) 443.
56. Klein D J, Topics curr Chem, 153 (1990) 57; Klein D J, J chem Educ, 67 (1990) 633; Klein D J & Trinajstić N, Pure appl Chem, 61 (1989) 2107; Klein D J, Pure appl Chem, 5 (1983) 299; Klein D J, J chem Educ, 69 (1992) 691; Živković T, Randić M, Klein D J, Zhu H Y & Trinajstić N, J comput Chem, 16 (1995) 517; Klein D J, Zhu H, Valenti R & Garcia-Bach M A, Int J quant Chem, 65 (1997) 421; Zhu H & Klein D J, MATCH Commun math Comput Chem, 31 (1994) 205. Zhu H, Balaban A T, Klein D J & Živković T P, J chem Phys, 101 (1994) 5281; Liu X, Schmalz T G & Klein D J, Chem Phys Lett 188 (1992) 550; Seitz W A, Hite G E, Schmalz T G & Klein D J in: King R B & Rouvray D H (eds), Graph theory and topology in chemistry (Elsevier, Amsterdam), 1987; Klein D J, Hite G E & Seitz W A, J comput Chem, 7 (1986) 443.
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59. Balaban A T & Ivanciuc O in: Devillers J & Balaban A T (eds), Topological indices and related descriptors in QSAR and QSPR (Gordon & Breach, Amsterdam), 1999, pp 21-57; Basak S C in: Devillers J & Balaban A T (eds), Topological indices and related descriptors in QSAR and QSPR (Gordon & Breach, Amsterdam), 1999, pp 563-593; Randić M, J chem Inf Comput Sci, 37 (1997) 672; Randić M, J mol Graphics Model, 20 (2001) 19; Estrada E in: Devillers J & Balaban A T (eds), Topological indices and related descriptors in QSAR and QSPR (Gordon & Breach, Amsterdam), 1999, pp 403-453; Estrada E & Molina E in: M V Diudea (ed), QSAR/QSPR studies by molecular descriptors (Nova, New York), 2000, pp 91-116; Estrada E & Uriarte E, Curr med Chem, 2001 (in print).
60. Balaban A T & Ivanciuc O in: Devillers J & Balaban A T (eds), Topological indices and related descriptors in QSAR and QSPR (Gordon & Breach, Amsterdam), 1999, pp 21-57; Basak S C in: Devillers J & Balaban A T (eds), Topological indices and related descriptors in QSAR and QSPR (Gordon & Breach, Amsterdam), 1999, pp 563-593; Randić M, J chem Inf Comput Sci, 37 (1997) 672; Randić M, J mol Graphics Model, 20 (2001) 19; Estrada E in: Devillers J & Balaban A T (eds), Topological indices and related descriptors in QSAR and QSPR (Gordon & Breach, Amsterdam), 1999, pp 403-453; Estrada E & Molina E in: M V Diudea (ed), QSAR/QSPR studies by molecular descriptors (Nova, New York), 2000, pp 91-116; Estrada E & Uriarte E, Curr med Chem, 2001 (in print).
61. Balaban A T & Ivanciuc O in: Devillers J & Balaban A T (eds), Topological indices and related descriptors in QSAR and QSPR (Gordon & Breach, Amsterdam), 1999, pp 21-57; Basak S C in: Devillers J & Balaban A T (eds), Topological indices and related descriptors in QSAR and QSPR (Gordon & Breach, Amsterdam), 1999, pp 563-593; Randić M, J chem Inf Comput Sci, 37 (1997) 672; Randić M, J mol Graphics Model, 20 (2001) 19; Estrada E in: Devillers J & Balaban A T (eds), Topological indices and related descriptors in QSAR and QSPR (Gordon & Breach, Amsterdam), 1999, pp 403-453; Estrada E & Molina E in: M V Diudea (ed), QSAR/QSPR studies by molecular descriptors (Nova, New York), 2000, pp 91-116; Estrada E & Uriarte E, Curr med Chem, 2001 (in print).
62. Balaban A T & Ivanciuc O in: Devillers J & Balaban A T (eds), Topological indices and related descriptors in QSAR and QSPR (Gordon & Breach, Amsterdam), 1999, pp 21-57; Basak S C in: Devillers J & Balaban A T (eds), Topological indices and related descriptors in QSAR and QSPR (Gordon & Breach, Amsterdam), 1999, pp 563-593; Randić M, J chem Inf Comput Sci, 37 (1997) 672; Randić M, J mol Graphics Model, 20 (2001) 19; Estrada E in: Devillers J & Balaban A T (eds), Topological indices and related descriptors in QSAR and QSPR (Gordon & Breach, Amsterdam), 1999, pp 403-453; Estrada E & Molina E in: M V Diudea (ed), QSAR/QSPR studies by molecular descriptors (Nova, New York), 2000, pp 91-116; Estrada E & Uriarte E, Curr med Chem, 2001 (in print).
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