On history of the Randić index and emerging hostility toward chemical graph theory

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Volumn 59, Issue 1, 2008, Pages 5-124

  Randić, Milan ^a,b  

^a Drake University ^*  (United States)

^b DRAKE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 42149156590     PISSN: 03406253     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Review

References (389)

1. J. O. Hirschfelder, My adventures in theoretical chemistry. Ann. Rev. Phys. Chem. 34 (1983) 1-29.
2. Journal of Physical Chemistry (guest editor: D. Herschbach), (1993).
3. Review of Modern Quantum Chemistry. A Celebration of the Contributions of R. G. Parr (in 2 volumes); K. D. Sen (University of Hyderabad, India) Ed., World Scientific: Singapore (2002).
4. M. Randić, Nenad Trinajstić - Pioneer of Chemical Graph Theory. Croat. Chem. Acta 11 (2004) 1-15.
5. Croatica Chemica Acta: Festschrift in honor of Nenad Trinajstić, vol. 77, No 1 & 2, 2004, guest editor: Sonja Nikolić.
6. Journal of Chemical Information of Modeling (with selection of articles dedicated to N. Trinajstić with S. Nikolić as guest editor) (in press).
7. th birthday and to acknowledge his distinguished research in mathematical chemistry.
8. th birthday" (Guest editor M. V. Diudea), May 2002, Vol. 1, Number 5, Number 6, and Number 7.
9. El-Basil, S. Prolegomenon on theory and applications of tables of marks. MATCH Commun. Math. Comput. Chem. 46 (2002) 7-23.
10. I. Ugi, Fast and permanent changes in preparative and pharmaceutical chemistry through multicomponent reactions and their "libraries", Proc. Estonian Acad. Sci. Chem., 44 (1995) 237-273.
11. M. Randić, On characterization of molecular branching. J. Am. Chem. Soc. 97 (1975) 6609-6615.
12. M. Randić, Conjugated circuits and resonance energies of benzenoid hydrocarbons. Chem. Phys. Lett. 38 (1976) 68-70.
13. M. Randić, A graph theoretical approach to conjugation and resonance energies of hydrocarbons, Tetrahedron, 33 (1977) 1905-1920;
14. M. Randić, Aromaticity and conjugation. J. Am. Chem. Soc. 1977, 99, 444-450.
15. L. Pauling, E. B. Wilson, Introduction to Quantum Mechanics, McGrawHill; New York (1935), paperback ed. Dover Publ. (1985).
16. E. B. Wilson, Some mathematical methods for the study of molecular vibrations. J. Chem. Phys. 9 (1941) 76-84.
17. E.B. Wilson Jr, J.C. Decius, P.C. Cross, Molecular Vibrations. The Theory of Infrared and Raman Vibrational Spectra, McGraw Hill, New York, 1955
18. E. B. Wilson, Introduction to Scientific Research, McGraw-Hill: New York, NY (1952).
19. N. T. Greenspan: The End of the Certain World. The Life and Science of Max Born. The Nobel Physicist Who Ignited the Quantum Revolution. Basic Books; Perseus Books Group, New York 2005.
20. W. Heitler, F. London, Wechselwirkung neutraler Atome und homopolare Bindung nach der Quantenmechanik, Z. Phys. 44 (1927) 455.
21. D. Hubert (mentioned in a book about Max Born ref. 18).
22. L. Pauling, The Nature of the Chemical Bond, Cornell Univ. Press: Ithaca, NY, 1940.
23. M. Randić, On the recognition of identical graphs representing molecular topology, J. Chem. Phys. 60 (1974) 3920-3928.
24. Nature vol. 252 (November 14 1974) 188.
25. M. Randić, On rearrangement of the connectivity matrix of a graph. J. Chem. Phys. 62 (1975) 309-310.
26. M. Randić, On unique numbering of atoms and unique codes for molecular graphs. J. Chem. Inf. Comput. Sci 15 (1975) 105-108.
27. M. Randić, On canonical numbering of atoms in a molecule and graph isomorphism. J. Chem. Inf. Comput. Sci. 17 (1977) 171-180.
28. L. B. Kier, L. H. Hall, Molecular Connectivity in Chemistry and Drug Research; Academic Press: New York, 1976.
29. L. B. Kier, L. H. Hall, Molecular Connectivity in Structure-Activity Analysis; Research Studies Press: Letchworth, England, 1986.
30. L. B. Kier, L. H. Hall, Molecular Structure Description: The Electrotopological State Analysis, Academic Press: San Diego, 1999.
31. M. Randić, The connectivity index 25 years after, J. Mol. Graphics & Modelling 20 (2001) 19-35.
32. I. Gutman, O. Araujo, J. Rada, An identity for Randić's connectivity index and its application, Acto Chim. Hung. - Models in Chemistry 137 (2000) 653-658.
33. I. Gutman, O. Ara-jo, J. Rada, Justifying Randić's definition of the Randić index, Chem. Phys. Lett. (rejected)
34. J. Rada, O. Ara-jo, I. Gutman, Randić index of benzenoid systems and phenylenes, Croat. Chem. Acta 74 (2001) 225-235.
35. S. El-Basil, Novel graph-theoretical approach to estimating the relative importance of individual Kekulé valence structures. I. Simple Catacondensed Systems. Int. J. Quantum Chem. 21 (1982) 771-778.
36. S. El-Basil, Novel graph-theoretical approach to estimating the relative importance of individual Kekulé valence structures. II. Int. J. Quantum Chem. 21 (1982) 771-778.
37. S. El-Basil, Novel graph-theoretical approach to estimating the relative importance of individual Kekulé valence structures. III. Nonalternate and nonbenzenoid hydrocarbons. Int. J. Quantum Chem. 21 (1982) 793-797.
38. D. H. Rouvray, The prediction of biological activity using molecular connectivity indices, Acta Pharm. Jugosl. 36 (1986) 239-252.
39. J. W. McIver, A. Komornicki, Structure of transition states in organic reactions. General theory and an application to the cyclobutene-butadiene isomerization using a semiempirical molecular orbital method. J. Am. Chem. Soc. 94 (1972) 2625-2633.
40. P. J. Stang, 124 years of publishing original and primary chemical research: 135,149 publications, 573,453 pages, and a century of excellence (JACS editorial). J. Am. Chem. Soc. 125 (2003) 1-8.
41. L. B. Kier, W. J. Murray, L. H. Hall, M. Randić, Molecular Connectivity. I. Relationship to non-specific local anesthesia. J. Pharm. Sci. 64 (1975) 1971-1974.
42. L. B. Kier, W. J. Murray, M. Randić, L. H. Hall, Molecular connectivity V. Connectivity series concept applied to density. J. Pharm. Sci. 65 (1976) 1226-1974.
43. A. R. Katritzky, V. Lobanov, M. Karelson, CODESSA (Comprehensive Descriptors for Structural and Statistical Analysis); University of Florida: Gainesville, FL, 1994.
44. L. B. Kier, H. L. Hall, Molecular Connectivity. VII. Specific treatment of heteroatoms. J. Pharm. Sci. 65 (1976) 1806-1809.
45. th anniversary celebration of Kekulé's benzene theory, held in Berlin City Hall in 1890.
46. J. H. Wotiz, The Kekulé Riddle: A Challenge for Chemists and Psychologists; Cache River Press, Vienna, ILL., 1993.
47. A. J. Rocke, The Quiet Revolution: Hermann Kolbe and the Science of Organic Chemistry, Univ. of California Press, Berkeley, 1993.
48. th-Century chemist Kekulé charged with scientific misconduct, Chem. & Eng. News, August 23, 1993 p. 20-21.
49. J.J. Sylvester, Chemistry and Algebra, Nature 17 (1878) 284-309.
50. J. J. Sylvester, On an application of the new atomic theory to the graphical representation of the invariants and covariants of binary quantics, Amer. J. Math. 1 (1978) 64-125.
51. S. F. Boys, Electron wavefunctions I. A general method for calculation for the stationary states of any molecular system. Proc. Roy. Soc. (London) A 200 (1950) 542.
52. S. F. Boys, Construction of some molecular orbitais to be approximately invariant for changes from one molecule to another. Rev. Mod. Phys. 32 (1960) 296-299.
53. R. Pariser, R. G. Parr, A Semi-Empirical Theory of the Electronic Spectra and Electronic Structure of Complex Unsaturated Molecules. I. J. Chem. Phys. 21 (1953) 466-471.
54. R. Pariser, R. G. Parr, A Semi-Empirical Theory of the Electronic Spectra and Electronic Structure of Complex Unsaturated Molecules. II. J. Chem. Phys. 21 (1953) 767-776.
55. J. A. Pople, Electron interaction in unsaturated hydrocarbons, Trans. Faraday Soc. 49 (1953) 1375-1385.
56. J. A. Pople, A.Brickstock, Resonance energies and charge distributions of unsaturated hydrocarbon radicals and ions, Trans. Faraday Soc. 50 (1954) 901-911.
57. J. A. Pople, The origin of PPP Theory, Int. J. Quant. Chem. 37 (1990) 349-371.
58. H. A. Hauptman, J. Karle, Solution of the Phase Problem. I. The Centrosymmetric Crystal: American Crystallographic Association: New York, 1953.
59. R. B. Woodward; R. Hoffmann, The Conservation of Orbital Symmetry Academic Press, New York (1970).
60. E. Hückel, Quantentheoretische Beitrage zum Benzolproblem. I. Die Elektronenkonfiguration des Benzols und verwandeter Verbindungen. Zeit. F. Phys. 70 (1931) 204-286.
61. E. Hückel, Grundzuge der Theorie ungesttigter und aromatischer Verbindungen, Verlag Chemie: Berlin, 1940.
62. A letter from Professor R. G. Parr (February 28, 2004).
63. th Century Clouds Over the Chemical Graph Theory, Advances in Quantum Chemistry, a special issue on Chemical Graph Theory - Wherefrom, Wherefor & Whereto (editor D. J. Klein, Errki Brandas; in press).
64. th Century Clouds Over the Dynamical Theory of Heat and Light Phil. Mag. 2, (1901) 1.
65. S. Fajtlowicz, Written on the wall, Conjectures derived on the basis of the program Galatea Gabriela Graffiti, University of Houston, 1987.
66. B. A. Cipra, Do mathematicians still do Math? Science, 244 (19 May 1989) 769-770.
67. X. Li, I. Gutman, Mathematical Aspects of Randic-type Molecular Structure Descriptors, Univ. Kragujevac, Kragujevac, Serbia, 2006.
68. I. Gutman, Chemical graph theory - the mathematical connection, Advances in Quantum Chem. 51 (2006)125-138
69. J. L. Carlavilla, G. Fernández, Aventuras Topoló gicas, Rubes Editorial, S. L.: Barcelona 1994.
70. H. Wiener, Structural determination of paraffin boiling points. J. Am. Chem. Soc. 69 (1947) 17-20.
71. A. T. Balaban, Highly discriminating distance-based topological index, Chem. Phys. Lett. 89 (1982) 399-404.
72. M. Randić, On molecular identification numbers, J. Chem. Inf. Comput. Sci. 24 (1984) 164-175.
73. K. Szymanski, W. R. Müller, J. V. Knop, N. Trinajstić, On M. Randic's identification numbers. J. Chem. Inf. Comput. Sci. 25 (1985) 413-415.
74. M. Randić, Molecular ID numbers - by design, J. Chem. Inf. Comput. Sci. 26 (1986) 134-136.
75. K. Szymanski, W. R. Müller, J. V. Knop, N. Trinajstić, Molecular ID Numbers, Croat. Chem. Acta 59 (1986) 719-724.
76. H. Hosoya, Topological index. A newly proposed quantity characterizing topological nature of structural isomers of saturated hydrocarbons. Bull. Chem. Soc. Jpn 44 (1971) 2332-2339.
77. T. Koshy "Fibonacci and Lucas Numbers with Applications, " Wiley: New York, 2001.
78. D. Cvetković, M. Doob, H. Sachs "Spectra of Graphs," Johann Ambrosius Barth: Heidelberg, 1995.
79. D. Kovaček, D. Margetić, Z. B. Maksić, Semiempirical AM 1 study of the structural properties in some large fused molecular systems. J. Mol. Struct. (Theochem) 285, (1993) 195-210.
80. Funk & Wagnalls Standard Desk Dictionary, Harper & Row, Publishers, (1984)
81. M. Randić, Aromaticity of polycyclic conjugated hydrocarbons, Chem. Rev. 103 (2003) 3449-3605;
82. D. J. Klein, Valence bond theory for conjugated hydrocarbons, Pure & Appl. Chem. 55 (1983) 299-306.
83. D. J. Klein, T. G. Schmalz, W. A. Seitz, G. E. Hite, Overview of Hückel- and resonance-theoretic approaches to π-network polymers, Int. J. Quantum Chem: Quantum Chem. Symp. 19 (1986) 707-718.
84. G. E. Hite, T. P. Živković, D. J. Klein, Conjugated circuit theory for graphite. Theor. Chim. Acta 74 (1988) 349-361.
85. D. J. Klein, T. G. Schmalz, Exact ground state for a Herndon-Simpson model via resonance-theoretic cluster expansion, Int. J. Quantum Chem. 34 (1989) 373-383.
86. D. J. Klein, N. Trinajstić, Foundations of conjugated-circuits models, Pure & Appl. Chem. 61 (1989) 2107-2115.
87. N. Trinajstić, D. Plavšić, D. J. Klein, The conjugated-Circuit model revisited. Croat. Chem. Acta 62 (1989) 711-718.
88. S. Nikolić, N. Trinajstić, D. J. Klein, The conjugated-circuit model, Computers Chem. 14 (1990) 313-322.
89. D. J. Klein, Valence-bond theory and chemical structure. J. Chem. Educ. 67 (1990) 633-637.
90. D. J. Klein, Semiempirical Valence Bond views for benzenoid hydrocarbons. Topics Curr. Chem. 153 (1990) 57-83.
91. D. J. Klein, W. A. Seitz, T. G. Schmalz, Conjugated circuits computations for conjugated hydrocarbons, in: Computational Chemical Graph Theory, D. H. Rouvray, Ed., Nova Science Pub.: New York 1990,
92. D. J. Klein, T. P. Živković, R. Valenti, Topological long-range order for resonating-valence-bond structures, Phys. Rev. B 43 (1991) 723-727.
93. D. J. Klein, X. Liu, Many-body conjugated circuit computations. J. Comput. Chem. 12 (1991) 1260-1264.
94. D. J. Klein, Aromaticity via Kekulé structures and conjugated circuits, J. Chem. Educ. 69 (1992) 691-6947.
95. H. Zhu, A. T. Balaban, D. J. Klein, T. P. Živković, Conjugated-circuit computations on two-dimensional carbon networks. J. Chem. Phys. 101 (1994) 5281-5292.
96. H. Zhu, D. J. Klein, Conjugated circuits for polymers. MATCH Commun. Math Chem. 31 (1994) 205-224.
97. D. J. Klein, H. Zhu, R. Valenti, M. A. Garcia-Bach, Many-body valence-bond theory, Int. J. Quantum Chem. 65 (1997) 421-438.
98. D. J. Klein, Inter-relations between VB & MO theories for organic π-networks. Theoretical Organic Chemistry (C. Párkányi, Ed.), Theoretical and Computational Chemistry 5 (1998) 33-50.
99. D. J. Klein, Advances in many-body Valence-Bond theory. Pauling's Legacy: Modern Modeling of the Chemical Bond (Z. B. Maksić and W. J. Orville-Thomas, Eds.) Theoretical and Computational Chemistry 6 (1999) 403-420.
100. M. Randić, Adversaries in the Search (in preparation).
101. R. G. Parr, Companions in the Search, Int. J. Quantum Chem. 49 (1994) 739-770.
102. The origin of this widely known statement is apparently not known. In one of his essays in Current Contents, Eugine Garfield, the editor, ask anyone who may know origin of the "Publish or Perish" statement to inform him.
103. M. Randić, Section of quotes by scientists or about science, Indian J. Mathematics Teaching, 26 (2000) 11-21. Unfortunately the author has not seen galley proofs so there have been few printing errors uncorrected.
104. M. Randić, Quotes by Scientists or about science (part II), to be published.
105. J. C. Eccles, My Scientific Odyssey, Ann. Rev, Physiology, 39 (1977) 1-18.
106. D. V. Lindley, Refereeing, The Math. Intelligencer, 6 (1984) 56-68.
107. R. C. Thompson, Author vs. Referee: A case history for middle level mathematicians, The Amer. Math. Monthly 90 (1983) 661-668.
108. E. T. Strom, Referees I have known ? New J. Chem. 13
109. D. H. Rouvray, Predicting chemistry from topology, Sci. Amer., 254 (1986) No. 9, 40-47
110. Walter Kohn obtained Nobel Prize in 1998 "for his development of the density-functional theory".
111. W. Kohn, Nobel Lecture: Electronic structure of matter - wavefunctions and density functionals, Rev. Mod. Phys. 71 (1999) 1253-1266.
112. N. Flocke, T. G. Schmalz, D. J. Klein, Variational resonance valence bond study on the ground state of C60 using the Heisenberg model, J. Chem. Phys. 109 (1998) 873-880.
113. J. Wu, Y. Jiang, The valence bond calculations for conjugated hydrocarbons having 24-28 π-electrons. J. Comput. Chem. 21 (2000) 856-869
114. I. Gutman, N. Trinajstić, Graph theory and molecular orbitais. Total π-electron energy of alternant hydrocarbons. Chem. Phys. Lett. 17 (1972) 535-538.
115. I. Gutman, A. Ruščić, N. Trinajstić, C. F. Wilcox, Jr., Graph Theory and molecular orbitais. XII. Acyclic polyene, J. Chem. Phys. 62 (1975) 3399-3405.
116. S. Nikolić, G. Kovačević, A. Miličević , N. Trinajstić, The Zagreb indices 30 years after, Croat. Chem. Acta 76 (2003) 113-124.
117. M. Randić, Novel graph theoretical approach to heteroatom in quantitative structureactivity relationship, Intel. Lab. Syst, 10 (1991) 213-227.
118. M. Randić, On computation of optimal parameters for multivariate analysis of structure-property relationship. J. Comput. Chem. 12 (1992) 970-980.
119. M. Randić, J. C. Dobrowolski, Optimal molecular connectivity descriptors for nitrogen containing molecules, Int. J. Quantum Chem. 70 (1998) 1209-1215.
120. M. Randić, M. Pompe, On characterization of CC double bond in alkenes, SAR & QSAR Environ. Res. 10 (1999) 451-471.
121. M. Randić, S. C. Basak, Optimal molecular descriptors based on weighted path numbers, J. Chem. Inf. Comput. Sci. 39 (1999) 261-266.
122. M. Randić, S. C. Basak, Multiple regression analysis with optimal molecular descritprtos, SAR & QSAR Environ. Res. 11 (2000) 1-23.
123. M. Randić, S. C. Basak, On construction of high quality structure-property-activity regressions: The boiling points of sulfides. J. Chem. Inf. Comput. Sci. 40 (2000) 899-905.
124. M. Randić, High quality structure-property regressions. Boiling points of smaller alkanes. New J. Chem. 24 (2000) 165-171.
125. M. Randić, Design of molecules with desirted properties. A molecular similarity approach to property optimization, in: Concepts and Applications of Molecular Similarity, M. A. Johnson and G. M. Maggiora, Eds., J. Wiley and Sons, Inc.; New York, 1990, pp. 77-145.
126. M. Randić, Topological indices, in Encyclopedia of Computational Chemsitry, P. von Ragué-Schleyer, editor-in-chief, J. Wiley: New York, 1998, pp. 3018-3032.
127. M. Randić, D. Mills, S. C. Basak, On use of variable connectivity index for characterization of amino acids, Int. J. Quantum Chem: Quantum Biol. Symp. 80 (2000) 1199-1209.
128. M. Randić, M. Pompe, The variable molecular descriptors based on distance related matrices, J. Chem. Inf. Comput. Sci. 41 (2001) 575-581.
129. f against descriptors of CODESSA. J. Chem. Inf. Comput. Sci. 41 (2001) 631-638.
130. M. Randić, D. Plavšić, N. Lerš, Variable connectivity index for cycle-containing structures. J. Chem. Inf. Comput. Sci. 41 (2001) 631-638.
131. M. Randić, S. C. Basak, M. Pompe, M. Novic, Prediction of gas chromatographic retention indices using variable connectivity index. Acta Chim. Slovenica 48 (2001) 169-180.
132. M. Randić, S. C. Basak, S. C. On use of the variable connectivity index in QSAR: Toxicity of Aliphatic Ethers, J. Chem. Inf. Comput. Sci. 41 (2001) 614-618.
133. M. Randić, M. Pompe, D. Mills, S. C. Basak, Variable Connectivity index as a tool for modeling structure-property relationship. Molecules, 9 (2004) 1177-1193.
134. M. Pompe, Variable connectivity index as a tool for solving "anti-connectivity" problem. Chem. Phys Lett. 404 (2005) 296-299.
135. a values for selected organic acids, Acta Chim. Slov. (2007), submitted.
136. M. Pompe, M. Randić, "Anticonnectivity": A challenge for structure-property-activity studies, J. Chem. Inf. Model. 46 (2006) 2-8.
137. M. Randić, M. Pompe, Variable Molecular Descriptors, Current Computer Aided Drug Design (submitted).
138. See the special number of Electronic journal Molecules: Recent advances in flexible molecular descriptors in QSAR/QSPR theory. Guest editors: A. A. Toropov, E. A. Castro; Molecules 12 (2004) 988-1235.
139. M. Randić, P. J. Hansen, P. C. Jurs, Search for useful graph theoretical invariants of molecular structure, J. Chem. Inf. Comput. Sci. 28 (1988) 60-68.
140. S. Nikolić, G. Kovačević, A. Miličević , N. Trinajstić, The Zagreb indices 30 years after, Croat. Chem. Acta 76 (2003) 113-124.
141. A. Miličević, S. Nikolić, On variable Zagreb indices, Croat. Chem. Acta 11 (2004) 97-101.
142. N. S. Zefirov, V. A. Palyulin, QSAR for boiling points of "small" sulfides. Are the "high-quality structure-property- activity regressions" the real high quality QSAR models? J. Chem. Inf. Comput. Sci. 41 (2001) 1022-1027.
143. M. Randić, On characterization of chemical structure, J. Chem. Inf. Comput. Sci. 37 (1997) 672-687.
144. S. H. Unger, (Book Review) J. Pharmaceut. Sci. 1987 (76) 269-270.
145. J. T. Edwards cited in the book of H. Kubinyi [149].
146. P. Taylor, as cited in ref. [149].
147. G. Grassy, B. Calas, A. Yasri, R. Lahana, J. Woo, S. Iyer, M. Kaczorek, R. Floc'h, R. Buelov, Computer-assisted rational design of immunosuppressive compounds. Nat. Biotech. 16 (1998) 748-752.
148. R. Compadre, C. M. Compadre, R. Carillo, W. J. Dun, Jr., On the use of connectivity indexes in quantitative structure-activity studies, Eur. J. Med. Chem. 18 (1983) 569 (cited in ref. [124]).
149. E. Estrada, E. Molina, QSPR/QSAR by graph theoretical descriptors beyond the frontier, in: QSPR/QSAR Studies by Molecular Descriptors, M. Diudea, Ed., Nova Sci. Publ., Huntington, NY 2001, pp 83-107.
150. H. Kubinyi, QSAR. Hansch Analysis and Related Approaches (Methods and Principles in Medicinal Chemistry, R. Mannhold, P. Kroogsgard-Larsen, H. Timmerman, Eds., Vol. 1), VCH Publ.: Weinheim, 1993.
151. A. B. Richon, S. S. Young, An introduction to QSAR Methodology, Network Science; http://www.netsci.org/Science/Compchem/featurel9.htm. p. 1-25.
152. A. T. Balaban, Applications of graph theory in chemistry, J. Chem. Inf. Comput. Sci., 25 (1985) 334-343.
153. L. H. Hall, L. B. Kier, The molecular connectivity chi indexes and kappa shape indexes in structure-property modeling, Reviews in Computational Chemistry, vol. 2, K. B. Lipkowitz, D. B. Boyd, (eds.), VCH Publ.: New York, 1991.
154. H. Skolnik, The journal for chemical information and computer science: A 25-year perspective, J. Chem. Inf. Comput. Sci., 25 (1985) 137-140.
155. E. Garfield, History if citation indexes for chemistry: A brief review, J. Chem. Inf. Comput. Sci., 25 (1985) 170-174.
156. N. Lozac'h, Principles for the continuing development of organic nomenclature, J. Chem. Inf. Comput. Sci., 25 (1985) 180-185.
157. S. R. Heller, The chemical information system and spectral databases, J. Chem. Inf. Comput. Sci., 25 (1985) 224-231.
158. S.-I. Sasaki, Y. Kudo, Structure elucidation system using structural information from multisources: CHEMICS, J. Chem. Inf. Comput. Sci., 25 (1985) 252-257.
159. W. J. Wiswesser, Historic development of chemical notation, J. Chem. Inf. Comput. Sci., 25 (1985) 258-263.
160. T. L. Isenhour, Robotics in laboratory, J. Chem. Inf. Comput. Sci., 25 (1985) 292-295.
161. P. C. Jurs, T. R. Stoch, M. Czerwinski, J. N. Narvaez, Computer-assisted studies of molecular structure-biological activity relationship. J. Chem. Inf. Comput. Sci., 25 (1985) 296-308.
162. D. L. Massart, P. K. Hopke, Chemometrics and Distributed software, J. Chem. Inf. Comput. Sci., 25 (1985) 308-313.
163. J.-E. Dubois, Y. Sobel, DARC system for documentation and artificial intelligence in chemistry, J. Chem. Inf. Comput. Sci., 25 (1985) 326-333.
164. C. Hansch, A quantitative approach to biochemical structure-activity correlations, Account Chem. Res. 2 (1969) 232-239.
165. C. Hansch, A. Leo, Exploring QSAR. Fundamentals and Applications in Chemistry and Biology, ACS Professional Reference Book; American Chemical Society: Washington, D. C., 1995.
166. M. J. M. Wells, C. R. Clark, Structure-retention relationship analysis for some mono-and polycyclic aromatic hydrocarbons in reversed-phase liquid chromatography using molecular connectivity, Anal. Chem. 58 (1988) 1625-1633.
167. R. Franke, Theoretical Drug Design Methods, Elsevier: Amsterdam 1984, p. 133
168. J. T. Edward, E. Johansson, S. Wold, Use of molecular connectivity indices in sociohistorical and business management studies, Graph Theory Notes of New York 15 (1988) 26-37.
169. R. Hoffmann, Marginalia. Nearly circular reasoning. Amer. Sci. 76 (1988) 182-185.
170. T. L. Isenhour, More on publish or perish, J. Chem. Inf. Comput. Sci., 26 ( 1986) 3A-4A.
171. R. J. Wilson, Introduction to Graph Theory, Oliver and Boyd: Edinburgh, 1972.
172. F. Harary, Graph Theory, Addison-Wesley: Reading, MA, 1969.
173. J. A. Bondy, U. S. R. Murty, Graph Theory with Applications. Elsevier North-Holland: Amsterdam, 1976.
174. D. König. Theorie der endlichen und unendlichen Graphen. Chelsea Publ. Co., New York 1950 (reprint, original printing: 1935).
175. E. Ciar, Polycyclic Hydrocarbons, Academic press and Springer: London and Berlin, 1964, Vols. 1 and 2.
176. Authors (including E. Ciar) never received any compensation.
177. R. Gold, Graph Theory, The Benjamin / Cummings Publ. Co, Menlo Park, CA 1988.
178. M. Randić, Chemometrics and Intelligent Laboratory Systems ( 1989); book review.
179. N. L. Biggs, E. K. Lloyd, R. J. Wilson, Graph Theory 1736 - 1936, reprinted edition with corrections, Clarendon: Oxford, 1977.
180. th printing,
181. M. Randić, Chemical graph theory - Facts and fiction. Indian J. Chem. 42A (2003) 1207-1218.
182. Atomic Hypothesis and the Concept of Molecular Structure, Z. B. Maksić, Ed., Springer-Verlag: Berlin, 1990.
183. F. R. K. Chung, Spectral Graph Theory, Regional Conference Series in Mathematics. 92. Providence, RI: American Mathematical Society (1997).
184. A. J. Schwenk, R. J. Wilson, On the eigenvalues of a graph, in: Selected Topics in Graph Theory, L. W. Beineke and R. J. Wilson, Eds., Academic Press: New York, 1978.
185. L. Collatz, U. Sinogowitz, Spektren endlicher Grapfen, Abh. Math. Sem. Univ. Hamburg 21 (1957) 63-77.
186. Brijuni Conference: Time, Space & Life, Sept. 2004 (D. Bosanac, Institute Rudjer Boskovic, Zagreb, organizer).
187. M. Randić, M. Vračko, A, Nandy, S. C. Basak, On 3-D graphical representation of DNA primary sequences and their numerical characterization, J. Chem. Inf. Comput. Sci. 40 (2000) 1325-1244.
188. M. Randić, E. Estrada, Order from chaos: Observing hormesis at the proteome level, J. Proteome Res. A (2005) 2133-2136.
189. H. D. Lux, P. Schubert, in: Advances in Neurology, Vol. 12, Physiology and Pathology of Dendrides, G. W. Kreutzberg, Ed., Raven Press: New York, 1975.
190. M. Randić, Graph theoretical characterization of the dendritic fields, Int. J. Quantum Chem: Quantum Biol. Symp. 8 (1981) 463-479.
191. J. Lederberg, Topological mapping of organic molecules, Proc. Natl. Acad. Sci. 53 (1965) 134-139.
192. J. Lederberg, Hamilton circuits of convex trivalent polyhedra (up to 18 vertices), Amer. Math. Monthly 74 (1967) 522-527.
193. J. Lederberg, Dendral-64. A system for computer construction, enumeration and notation of organic molecules as tree structures and cyclic graphs, NASA Report CR-68898 (1965).
194. J. Lederberg, Systematics of organic molecules, Graph topology and Hamilton circuits, NASA Report CR-68899 (1966).
195. W. T. Tutte, On hamiltonian circuits. J. London Math. Soc. 21 (1946) 98-101.
196. From a letter of support for the late M. Razinger when attacked by University authorities for supervising an "un-chemical" theme for a Ph. D. student that was concerned with graph theoretical characterization of molecular structure.
197. J. W. Essam, M. E. Fisher, Some basic definitions in Graph Theory, Rev. Mod. Phys. 42 (1970) 272
198. D. Janežič, A. Miličević, S. Nikolić, N. Trinajstić, Graph-Theoretical Matrices in Chemistry, Mathematical Chemistry Monographs, No. 3, Publisher: Univ. Kragujevac & Faculty of Science, 2007.
199. O. Ivancuic, T. Ivanciuc, Matrices and structure descriptors computed from molecular graph distances, in: Topological Indices and Related Molecular Descriptors in QSAR and SAR, J. Devillers, A. T. Balaban, Eds., Gordon and Breach, The Netherlands, 1999.
200. T. Pisanski, M. Randić, Bridges between geometry and graph theory, in: Geometry at Work, C. A. Gorini, Ed., Math. Assoc. America, Washington, D. C. (2000), pp. 174-194.
201. D. Blanuša, Problem četriju boja, Glasnik Mat. Fiz. Astr., Ser. II, 1 (1946) 31-42.
202. A. Orbanić, T. Pisanski, M. Randić, B. Servatius, Blanuša Double, Math. Commun. 9 (2004) 91-103.
203. E. H. Lieb, Solution of the dimer problem by transfer matrix method. J. Math. Phys. 8 (1967) 2339-2341.
204. O. J. Heilmann, E. H. Lieb, Theory of monomer-dimer systems. Commun. Math. Phys. 25 (1972) 190-232.
205. L. Onsager, Crystal physics, I. A two-dimensional model with an order-disorder transition, Phys. Rev. 65 (1944) 117-149.
206. M. Kac, J. C. Ward, A combinatorial solution of the two-dimensional Ising model, Phys. Rev. 88 (1952) 1332-1337.
207. M. E. Fisher, Statistical mechanics of dimers on a plane lattice, Phys. Rev. 124 (1961) 1664-1681.
208. P. W. Kasteleyn, Dimer statistics and phase transitions, J. Math. Phys. A (1963) 287-293.
209. P. W. Kasteleyn, Graph theory and crystal physics, in: Graph Theory and Theoretical Physics, F. Harary (ed), Academic Press: London 1967, 42-110.
210. E. W. Montrol, Lattice Statistics, pp. 96-143 in Applied Combinatorial Mathematics (E. F. Beckebach, ed.), John Wiley: New York 1964.
211. H. N. V. Temperley, Lattice models in discrete statistical mechanics, in: R. J. Wilson and L. W. Beineke, eds. Applications of Graph Theory; Academic Press: London 1979, 149-175.
212. D. J. Klein, G. E. Hite, W. A. Seitz, T. G. Schmalz, Dimer coverings and Kekulé structures on honeycomb lattice strips, Theor. Chim. Acta 69 (1986) 407-423.
213. W. A. Seitz, D. J. Klein, G. E. Hite, Interacting dimers on a Sierpinski gasket, Discr. Appl. Math. 19 (1988) 339-348.
214. H. Hosoya, K. Balasubramanian, Exact dimmer statistics and characteristic polynomials of cacti lattices. Theor. Chim. Acta 76 (1989) 315-329.
215. Lynn Margulis, as cited in the book: John Horgan End of Science, (Croatian translation p. 131)
216. J. V. Bradley, Pernicious publication practices, Bull. Psychonomic Soc. 18, 31-34 (1981).
217. J. V. Bradley, Editorial overkill. Bull. Psychonomic Soc. 19, 271-274 (1982).
218. M. Randić, M. I. Davis, Symmetry properties of chemical graphs. VI. Isomerization of octahedral complexes, Int. J. Quantum Chem. 26 (1984) 69-89.
219. M. R. Garey, D. S. Johnson, Computers and Intractability (A Guide to the Theory of NP-Completeness), Freeman: San Francisco, 1979.
220. W. von E. Doering, W. R. Roth, Rapidly reversible degenerate Cope rearrangement. Tetrahedron, 19 (1963) 715-737.
221. 2,3 (Bullvalen). Chem. Ber. 97 (1964) 3140-3149.
222. J. F. M. Oth, K. Müllen, J. M. Gilles, G. Schröder, Comparison of carbon-13 and proton magnetic resonance spectroscopy as techniques for the quantitative investigation of dynamic processes. Cope rearrangement in bullvalene. Helv. Chim. Acta 57 (1974) 1415-1433.
223. 3- skeleton. J. Comput. Chem. 7 (1986) 35-54.
224. M. Baudler, Chain and ring phosphorus compounds - analogies between phosphorus and carbon chemistry, Angew. Chem. Int. Ed. 21 (1982) 492-512.
225. T. P. Živković, Bullvalene reaction graph. Croat. Chem. Acta 69 (1996) 215-222.
226. A. T. Balaban, Chemical Graphs. III. Reactions with cyclic six-membered transition state. Rev. Roum. Chim. 12 (1967) 875-898.
227. J. B. Hendrickson, The variety o thermal pericyclic reactions. Angew. Chem. Int. Ed. English 13 (1974) 47-76.
228. H. Hosoya, The Topological index Z before and after 1971, Internet Electronic J. Mol. Design 1 (2002) 428-442.
229. I. Gutman, M. Randić, A correlation between Kekulé valence structures and conjugated circuits, Chem. Phys. 41 (1979) 265-270.
230. Mathematical Plums, R. Honsberger, Ed., Dolciani Mathematical Exposition, No. 4, The Math. Assoc, of America, 1979.
231. S. Weinberg, The First Three Minutes - A Modern View of the Origin of the Universe (1977)
232. JCICS "Alert" sent together with manuscript to reviewers of graph theoretical papers submitted to the journal.
233. H. Kubinyi, Validation and Predictivity of QSAR Models, in: QSAR & Molecular Modelling in Rational Design of Bioactive Molecules, E. Aki Sener, I. Yalcin, Eds., CADDD Society, Ankara, Turkey, 2006, pp. 30-33.
234. D. M. Hawkins, S. C. Basak, X. Shi, QSAR, QSAR with few compounds and many features. J. Chem. Inf. Comput. Sci. 41 (2001) 663-670.
235. C. A. Coulson, The electronic structure of some polyenes and aromatic molecules VII: Bonds of fractional order by the molecular orbital method. Proc. Roy. Soc. (London) A 169 (1939) 413-428.
236. L. Pauling, L. O. Brockway, J. Y. Beach, Dependence of interatomic distance on the single bond - double bond resonance, J. Amer. Chem. Soc. 57 (1935) 2705-2709.
237. M. Randić, Comment on the difference between the bond orders calculated by SCF MO and simple MO method. J. Chem. Phys. 34 (1959) 693-694.
238. K. Fries, Bicyclic compounds and their comparison with naphthalene. III. Ann. Chem. 454 (1927) 121-324.
239. nd ed., CRC Press: Boca Raton, Fl. 1992.
240. st ed.), Boca Raton, Fl. 1983.
241. A. J. Zajta, Book review: N. Trinajstić, Chemical Graph Theory, Vols. 1 & 2;), Mathematical Reviews, 86 (1986) p. 3326.
242. Mathematics and Computational Concepts in Chemistry, N. Trinajstić, Ed., Wiley: New York, 1985.
243. E. Brändas, Book review: Mathematics and Computational Concepts in Chemistry, N. Trinajstić, ed., Int. J. Quantum Chem. 30 (1986) p. 867.
244. J. L. Fox, Use of mathematical tools in chemistry yields insights, Chem. & Eng. News, May 9, 1983, pp. 45-49.
245. C. Hansch, D. Hoeckman, H. Gao, Comparative QSAR: Towards a deeper understanding of chemicobiological interactions. Chem. Rev. 96 (1996) 1045-1075.
246. M. Randić, J. Zupan, On interpretation of well-known topological indices, J. Chem. Inf. Comput. Sci. 41 (2001) 550-560.
247. M. Randić, J. Zupan, On the structural interpretation of topological indices, Chapter 9 in: Topology in Chemistry: Discrete Mathematics of Molecules, D. H. Rouvray and R. B. King, Eds., Horwood Publ. Ltd.: Chichester, England, 2002, pp. 249-291.
248. L. B. Kier, L. H. Hall, Intermolecular accessibility: The meaning of molecular connectivity, J. Chem. Inf. Comput. Sci. 40 (2000) 792-795.
249. E. Estrada, On structural interpretation of the Randić index, Internet Electronic J. of Mol. Design 1 (2002) 360-366.
250. M. Randić, Orthogonal molecular descriptors, New J. Chem. 15 ( 1991 ) 517-525.
251. M. Randić, Resolution of ambiguities in structure-property studies by use of orthogonal descriptors. J. Chem. Inf. Comput. Sci. 31 (1991) 311-370.
252. M. Randić, Fitting of non-linear regressions by orthogonalized power series, J. Comput. Chem. 14 (1993) 363-370.
253. M. Randić, Curve fitting paradox, Int. J. Quantum Chem: Quantum Biol. Symp. 21 (1994) 215-225.
254. M. Randić, Retro-regression - another important multivariate regression improvement, J. Chem. Inf. Comput. Sci. 41 (2001) 602-606.
255. M. Randić, M. Pompe, Retro-regression - a way to resolve multivariate regression ambiguities, Acta Chim. Slov. 52 (2005) 408-416.
256. R. Hoffmann, Qualitative thinking in the age of modern computational chemistry - or what Lionel Salem knows. J. Mol. Struct. (Theochem) 424 (1998) 1-6.
257. M. Randić, Algebraic Kekulé formulas for benzenoid hydrocarbons, J. Chem. Inf. Comput. Sci. 44 (2004) 365-372.
258. M. Randić, Chemical shift sums. J. Magn. Res. 39 (1980) 431 -436.
259. M. Randić, N. Trinajstić, Composition as a method for data reduction: Application to carbon-13 MNR chemical shifts. Theor. Chim. Acta 73 (1988) 233-246.
260. J. R. Piatt, Influence of neighbor bonds on additive bond properties in paraffins, J. Chem.Phys. 15 (1947) 419
261. M. Randić, C. L. Wilkins, On graph theoretical basis for ordering of structures, Chem. Phys. Lett., 63 (1979) 332-336.
262. M. Randić, C. L. Wilkins, Graph theoretical ordering of structures as a basis for systematic searches for regularities in molecular data. J. Phys. Chem. 83 (1979) 1525-1540.
263. M. Randić, Novel shape descriptors for molecular graphs. J. Chem. Inf. Comput. Sci. 41 (2001) 607-613.
264. R. P. Feynman, Space-time approach to non-relativistic quantum mechanics, Rev. Modern Phys. 20 (1948) 367-387.
265. T. P. Živković, reported at the Quantum Chemistry School, Repino, near St. Petersburg, Russia (then Leningrad, U. S. S. R.), December 1973.
266. C. A. Coulson, A. Streitwieser, Jr.: "Dictionary of π-Electron Calculations" W. H. Freeman & Co.: San Francisco 1965.
267. M. Randić, X. Guo, A. F. Kleiner, On subspectral graphs, Congressus Numerantium 96(1993) 143-156.
268. M. Randić, Construction of graphs with special properties, Mathl. Comput. Modeling, 17 (1993) 129-138.
269. D'Amato, B. M. Gimarc, N. Trinajstić, Isospectral and subspectral molecules. Croat. Chem. Acta 54 (1981) 1-52.
270. N. Rashevsky, Mathematical Biophysics: Physico-Mathematical Foundations of Biology, Dover Publ. 1960 Vol. 1 & 2.
271. N. Rashevsky, Topology and life: In search of general mathematical principles of biology and sociology. Bull. Math. Biophysics 16 (19540 317-348.
272. Roget's Thesaurus, Vest-pocket edition, Houghton Mifflin Co.: Boston-New York (1987).
273. Encarta World English Dictionary, St Martin's Press: New York (1999).
274. S. Klavžar, P. Žigert, I. Gutman, Ciar number of catacondensed benzenoid hydrocarbons. J. Mol. Struct. (Theochem) 586 (2002) 235-240.
275. E. Ciar, The Aromatic Sextet, J. Wiley & Sons, London 1972.
276. M. Randić, Graphical approach to Ciar structures for benzenoid hydrocarbons. J. Math. Chem. (in press).
277. A. T. Balaban, (Ed.), Chemical Applications of Graph Theory, Academic Press: London (1976).
278. R. Hoffmann, Building bridges between inorganic and organic chemistry (Nobel lecture), Angew. Chem. Int. Ed. English, 21 (1982) 711-724.
279. M. Randić, A systematic study of symmetry properties of graphs I. Petersen Graph. Croat. Chem. Acta 49 (1977) 643-655.
280. M. Randić, Symmetry properties of graphs of interest in chemistry. II. Desargues-Levi graph, Int. J. Quantum Chem. 15 (1979) 663-682.
281. M. Randić, Local aromatic properties of benzenoid hydrocarbons, Pure & Appl. Chem. 52 (1980) 1587-1596.
282. M. Randić, Resonance energies of very large benzenoid hydrocarbons. Int. J. Quantum Chem. 17 (1980) 549-586.
283. M. Randić, Symmetry properties of graphs of interest in chemistry. III. Homotetrahedtryl rearrangement, Int. J. Quantum Chem: Quantum Chem. Symp. 14 (1980) 557-577.
284. M. Randić, Random walks and their diagnostic value for characterization of atomic environment, J. Comput. Chem. 1 (1980) 386-399.
285. M. Randić, Graph-theoretical search for benzenoid polymers with zero energy gap, Croat. Chem. Acta 53 (1980) 571-579.
286. D. Bonchev, A. T. Balaban, M. Randić, The graph center concept for polycyclic graphs, Int. J. Quantum Chem. 19 (1981) 61-82.
287. M. Randić, On evaluation of the characteristic polynomial for large graphs, J. Comput. Chem. 3 (1982) 421-435.
288. M. Randić, Survey of structural regularities in molecular properties. I. Carbon-13 chemical shifts in alkanes, Int. J. Quantum Chem. 23 (1983) 1707-1722.
289. M. Randić, On the role of Kekulé Valence Structures, Pure & Appl. Chem. 55 (1983) 347-354.
290. M. Randić, Nonempirical approach to structure-activity studies, Int. J. Quantum Chem: Quantum Biol. Symp. 11 (1984) 137-153.
291. M. Randić Symmetry properties o chemical graphs VIII. On complementarity of isomerization models, Theor. Chim. Acta 67 (1985) 137-155.
292. M. Randić, Compact molecular codes, J. Chem. Inf. Comput. Sci. 26 (1986) 136-148.
293. M. Randić, A statistical approach to resonance energies of large molecules, Chem. Phys. Lett. 128 (1986) 193-197.
294. N. Trinajstić, D. J. Klein, M. Randić, On some solved and unsolved problems of chemical graph theory, Int. J. Quantum Chem: Quantum Chem. Symp. 20 (1986) 699-742.
295. S. C. Grossman, B. Jerman-Blažič Džonova, M. Randić, A graph theoretical approach to quantitative structure-activity relationship, Int. J. Quantum Chem: Quantum Chem. Symp. 12 (1986) 123-139.
296. M. Randić, V. Solomon, S. C. Grossman, D. J. Klein, N. Trinajstić, Resonance energies of large conjugated hydrocarbons by a statistical method. Int. J. Quantum Chem. 32 (1987) 35-59
297. K. J. Kopecky, M. Randić, Computer generation of generalized Wheland polynomials, Comput. Chem. 11 (1987) 29-40.
298. M. Randić, N. Trinajstić, Critical test for resonance energies, J. Am. Chem. Soc. 109 (1987) 6923-6926.
299. M. Randić, B. Jerman-Blažič, D. H. Rouvray, P. G. Seybold, S. C. Grossman, The search for active substructures in structure-activity studies, Int. J. Quantum Chem: Quantum Biol. Symp. 14 (1987) 245-260.
300. M. Randić, Conjugation and aromaticity of Macrocyclic systems. Int. J. Quantum Chem: Quantum Chem. Symp. 22 (1988) 127-141.
301. M. Randić, B. Baker, Isospectral multitrees, J. Math. Chem. 2 (1988) 249-265.
302. D. J. Klein, T. G. Schmalz, S. El-Basil, M. Randić, N. Trinajstić, Kekulé count and algebraic structure count for unbranched alternant cata-fusenes, J. Mol. Struct. (Theochem) 179 (1988) 99-107.
303. S. Nikolić, M. Randić, D. J. Klein, D. Plaviš ić, N. Trinajstiè, The conjugated-circuit model: Application to benzenoid hydrocarbons. J. Mol. Struct. 198 (1989) 223-237.
304. M. Randić, B. M. Gimarc, S. Nikolić, N. Trinajstić, On the aromatic stability of helicenic systems, Gazz. Chim. Ital. 119 (1989) 1-11.
305. M. Randić, Resolution of ambiguities in structure-property studies by use of orthogonal descriptors, J. Chem. Inf. Comput. Sci. 31 (1991) 311-320.
306. M. Randić, Correlation of enthalpy of octanes with orthogonal connectivity indices, J. Mol. Struct. (Theochem) 233 (1991) 45-59.
307. M. Randić, D. Plavšić, N. Trinajstić, On the relative stability of nonbenzenoid alternant hydrocarbons, Polycyclic Aromat. Comp. 2 (12991) 183-194.
308. M. Randić, Generalized Molecular Descriptors, J. Math. Chem. 1 (1991) 155-168.
309. M. Randić, In search of structural invariants, J. Math. Chem. 9 (1992) 97-146.
310. M. Randić, Representation of molecular graphs by basic graphs, J. Chem. Inf. Comput. Sci. 32 (1992) 57-69.
311. M. Randić, Comparative structure-property studies: Regressions using a single descriptor. Croat. Chem. Acta 66 ( 1993) 289-312.
312. M. Randić, N. Trinajstić, In search for graph invariants of chemical interest J. Mol. Struct. 300 (1993) 551-571.
313. M. Randić, Novel molecular descriptor for structure-property studies, Chem. Phys. Lett. 221 (1993) 478-483.
314. M. Randić, N. Trinajstić, Viewpoint 4 - Comparative structure-property studies: the connectivity basis, J. Mol. Struct. (Theochem). 284 (1993) 209-221.
315. M. Randić, Curve-fitting paradox, Int. J. Quantum Chem: Quantum Biol. Symp. 21 (1994) 215-225.
316. M. Randić, On the characterization of fullerenes, Fullerene Sci & Techn. 2 ( 1994) 427-444.
317. M. Randić, Z. Mihalić, S. Nikolić, N. Trinajstić, Graphical bond orders: Novel structural descriptors, J. Chem. Inf. Comput. Sci. 34 (1994) 403-409.
318. M. Randić, Hosoya matrix - a source of new molecular descriptors, Croat. Chem. Acta 67 (1994) 415-429.
319. M. Randić, Molecular profiles. Novel geometry-dependent molecular descriptors. New J. Chem. 19 (1995)781-791.
320. M. Randić, Molecular shape profiles, J. Chem. Inf. Comput. Sci. 35 (1995) 373-382.
321. M. Randić, Restricted random walks on graphs, Theor. Chim. Acta 92 (1995) 97-106.
322. M. Randić, Compact codes: On nomenclature of acyclic chemical compounds, J. Chem. Inf. Comput. Sci. 35 (1995) 357-365.
323. M. Randić, On characterization of the conformations of nine-membered rings, Int. J. Quantum Chem: Quantum Biol. Symp. 22 (1995) 61-73.
324. M. Randić, Molecular bonding profiles, J. Math. Chem. 19 (1996) 375-392.
325. M. Randić, D. J. Klein, S. El-Basil, P. Calkins, Resonance in large benzenoid hydrocarbons, Croat. Chem. Acta 69 (1996) 1639-1660.
326. M. Randić, P. G. Mezey, Palindromic perimeter codes and chirality properties of polyhexes, J. Chem. Inf. Comput. Sci. 36 (1996) 1183-1186.
327. M. Randić, Quantitative structure-property relationship. Boiling points of planar benzenoids. New J. Chem. 20 (1996) 1001-1009,
328. M. Randić, Higher-order Fibonacci number, J. Math. Chem. 20 ( 1996) 79-94.
329. M. Randić, Giant benzenoid hydrocarbons, Supernaphthalene resonance energy. Acta Chim. Sloven. 44 (1997) 361-374.
330. M. Randić, Linear combination of path numbers as molecular descriptors, New J. Chem.21 (1997) 945-951.
331. D. J. Klein, M. Randić, D. Babic, B. Lucić, S. Nikolić, N. Trinajstić, Hierarchical orthogonalization of descriptors. Int. J. Quantum Chem. 63 (1997 215-222.
332. M. Randić, Resonance in catacondensed benzenoid hydrocarbons, Int. J. Quantum Chem. 63 (1997) 585-600.
333. M. Randić, G. Krilov, On characterization of molecular surfaces, Int. J. Quantum Chem. 65 (1997) 1065-1076.
334. M. Randić, On molecular branching, Acta Chim. Slov. 44 (1997) 57-77.
335. M. Randić, On structural ordering and branching of acyclic saturated hydrocarbons, J. Math. Chem. 24 (1998) 345-358.
336. M. Randić, Ciar polynomials of large benzenoid systems, J. Chem. Inf. Comput. Sci. 38 (1998) 563-574.
337. M. Randić, X. Guo, Giant benzenoid hydrocarbons. Superphenalene resonance energy. New J. Chem. 23 (1999) 251-260.
338. 26, Int. J. Quantum Chem. 74 (1999) 697-708.
339. M. Randić, Graph theoretical descriptors of two-dimensional chirality with possible extension to three-dimensional chirality. J. Chem. Inf. Comput. Sci. 41 (2001) 639-649.
340. M. Randić, S. C. Basak, A new descriptor for structure-property and structure-activity correlations, J. Chem. Inf. Comput. Sci. 41 (2001) 650-656.
341. M. Randić, On complexity of transitive graphs representing degenerate rearrangements, Croat. Chem. Acta 74 (2001) 683-705.
342. M. Randić, M. Pompe, The variable molecular descriptors based on distance related matrices. J. Chem. Inf. Comput. Sci. 41 (2001) 575-581.
343. M. Randić, Quantum Chemical justification for Clar's valence structures. In: Reviews of Modern Quantum Chemistry, A Celebration of the Contributions of Robert G. Parr, vol.1, K. D. Sen, Ed., World Scientific: Singapore, (2002), pp. 204-239.
344. M. Randić, D. Plavšić, Characterization of molecular complexity, Int. J. Quantum Chem. 91 (2003) 20-31.
345. M. Randić, Wiener-Hosoya index - a novel graph theoretical molecular descriptors, J. Chem. Inf. Comput. Sci. 44 (2004) 373-377.
346. I. Gutman, D. Vukičević, A. Graovac, M. Randić, Algebraic Kekulé structures of benzenoid hydrocarbons, J. Chem. Inf. Comput. Sci. 44 (2004) 296-299.
347. M. Randić, N. Basak, D. Plavšić, Novel graphical matrix and distance-based molecular descriptors, Croat. Chem. Acta 11 (2004) 251-257.
348. M. Randić, N. Lerš, D. Plavšić, S. C. Basak, Characterization of 2-D proteome maps based on the nearest neighborhoods of spots, Croat. Chem. Acta 11 (2004) 345-351.
349. D. Vukičević, H. W. Kroto, M. Randić, Atlas of Kekulé valence structures of Buckminsterfullerene, Croat. Chem. Acta 78 (2005) 223-234.
350. 60 Buckminsterfullerene. Croat. Chem. Acta 78 (2005) 493-502.
351. M. Randić, Oar's π-aromatic sextet revisited, Advances in Quantum Chemistry, a special issue on Chemical Graph Theory - Wherefrom, Wherefor & Whereto (editor D. J. Klein, Errki Brändas; in press).
352. M. Randić, On a geometry-based approach to protein sequence alignment. J. Math. Chem. (in press).
353. M. Aouchiche, P. Hansen, On a conjecture about the Randić index, Discr. Math. 307 (2007) 262-265.
354. M. Aouchiche, P. Hansen, M. Zheng, Variable neighborhood search for extremal graphs 18. Conjectures and results about the Randić index, MATCH Commun. Math. Comput. Chem. 56 (2006) 541 -550.
355. M. Aouchiche, P. Hansen, M. Zheng, Variable neighborhood search for extremal graphs 19. Further conjectures and results about the Randić index, MATCH Commun. Math. Comput. Chem. 58 (2007) 93-112.
356. Y. Hu, Y. Jin, X. Li, L. Wang, Maximum tree and maximum value for the Randić index R., of trees of order n < 102, MATCH Commun. Math. Comput. Chem. 56 (2006) 119-136.
357. Y. Hu, X. Li, Y. Shi, T. Xu, Connected (n.m)-graphs with minimum and maximum zeroth-order general Randić index, Discr. Appl. Math. 155 (2007) 1044-1054.
358. Y. Hu, X. Li, Y. Shi, T. Xu, I. Gutman, On molecular graphs with smallest and greatest zeroth-order general Randić index, MATCH Commun. Math. Comput. Chem. 54 (2005) 425-434.
359. -1 of trees, MATCH Commun. Math. Comput. Chem. 54 (2005) 441-454.
360. H. Hua, H. Deng, On unicycle graphs with maximum and minimum zeroth-order general Randić index, J. Math. Chem. 41 (2007) 173-181.
361. H. Li, M. Lu, The m-connectivity index of graphs, MATCH Commun. Math. Comput. Chem. 54 (2005) 417-423.
362. H. Li, M. Lu, F. Tian, Trees of extremal connectivity index, Discr. Appl. Math. 154 (2005) 106-119.
363. X. Li, Y. Shi, T. Xu, Unicyclic graphs with maximum general Randić index for α>0, MATCH Commun. Math. Comput. Chem. 56 (2006) 557-570.
364. X. Li, L. Wang, Y. Zhang, Complete solution for unicyclic graphs with minimum general Randić index, MATCH Commun. Math. Comput. Chem. 55 (2006) 391-408.
365. X. Li, J. Zheng, Extremal chemical trees with minimum or maximum Randić index, MATCH Commun. Math. Comput. Chem. 55 (2006) 381-390.
366. A. Lin, R. Luo, G. Song, X. Zha, The first three largest Randić indices of unicyclic graphs, MATCH Commun. Math. Comput. Chem. 58 (2007) 123-135.
367. B. Liu, I. Gutman, On general Randić indices, MATCH Commun. Math. Comput. Chem. 58 (2007) 157-176.
368. B. Liu, I. Gutman, Estimating the Zagreb and the general Randić indices, MATCH Commun. Math. Comput. Chem. 57 (2007) 617-632.
369. G. Liu, Y. Zhu, J. Cai, On the Randić index of unicyclic graphs with girth g, MATCH Commun. Math. Comput. Chem. 58 (2007) 137-148.
370. H. Liu, M. Lu, F. Tian, On the Randić index, J. Math. Chem. 38 (2005) 345-354.
371. H. Liu, M. Lu, F. Tian, On the ordering of trees with the general Randić index of the Nordhaus-Gaddum type, MATCH Commun. Math. Comput. Chem. 55 (2006) 419-426.
372. H. Liu, M. Lu, F. Tian, Trees of extremal connectivity index, Discr. Appl. Math. 154 (2006) 106-119.
373. H. Liu, X. Yan, Z. Yan, Bounds on the general Randić index of trees with a given maximum degree, MATCH Commun. Math. Comput. Chem. 58 (2007) 165-176.
374. -1 of trees, MATCH Commun. Math. Comput. Chem. 54 (2005) 435-440.
375. M. Lu, L. Zhang, F. Tian, On the Randić index of acyclic conjugated molecules, J. Math. Chem. 38 (2005) 677-684.
376. M. Lu, L. Zhang, F. Tian, On the Randić index of cacti, MATCH Commun. Math. Comput. Chem. 56 (2006) 551-556.
377. X. Pan, H. Liu, J. Xu, Sharp lower bounds for the general Randić index of trees with a given size of matching, MATCH Commun. Math. Comput. Chem. 54 (2005) 465480.
378. X. Pan, J. Xu, C. Yang, On the Randić index of unicyclic graphs with k pendent vertices, MATCH Commun. Math. Comput. Chem. 55 (2006) 409-417.
379. L. Pavlović, On the conjecture of Delorme, Favaron and Rautnebach about the Randić index, Eur. J. Oper. Res. 180 (2007) 369-377.
380. -1", MATCH Commun. Math. Comput. Chem. 56 (2006) 409-414.
381. -1 of trees", MATCH Commun. Math. Comput. Chem. 58 (2007) 177-192.
382. R. Pepper, D. J. Klein, Some theorems about the Randić connectivity index, MATCH Commun. Math. Comput. Chem. 58 (2007) 369-374.
383. J. Rada, C. Uzcategui, Randić ordering of chemical trees, Discr. Appl. Math. 150 (2005) 232-250.
384. J. A. Rodriguez, J. M. Sigarreta, On the Randić index and conditional parameters of a graph, MATCH Commun. Math. Comput. Chem. 54 (2005) 403-416.
385. B. Wu, L. Zhang, Unicyclic graphs with minimum general Randić index, MATCH Commun. Math. Comput. Chem. 54 (2005) 455-464.
386. X. Wu, L. Zhang, The third minimal Randić index tree with k pendant vertices, MATCH Commun. Math. Comput. Chem. 58 (2007) 113-122.
387. B. Zhang, B. Zhou, On modified and inverse Wiener indices of trees, Z. Naturforsch. 61a (2006) 536-540.
388. B. Zhang, B. Zhou, On zeroth-order general Randić indices of trees and unicyclic graphs, MATCH Commun. Math. Comput. Chem. 58 (2007) 149-156.
389. L. Z. Zhang, M. Lu, F. Tian, Maximum Randić index on trees with k-pendant vertices, J. Math. Chem. 41 (2007) 161-171.