|
|
References
|
|
   6
|
Allinger, N.L. (1977) MM2: A hydrocarbon force field utilizing V1 and V2 torsional terms. Journal of the American Chemical Society, 99(25): 8127
|
|
|
Basak, S.C., Gute, B.D., Balaban, A.T. (2004) Interrelationship of major topological indices evidenced by clustering. Croat Chem Acta, 77, str. 331-344, and references cited therein
|
|
 1
|
Bonchev, D., Trinajstić, N. (2001) Overall molecular descriptors. 3. Overall Zagreb indices. SAR QSAR Environ Res, 12(1-2): 213-36
|
|
2
|
Bonchev, D. (2001) The overall Wiener index: A new tool for characterization of molecular topology. J Chem Inf Comput Sci, 41(3): 582-92
|
|
2
|
Braun, J., Gugisch, R., Kerber, A., Laue, R., Meringer, M., Rucker, C. (2004) MOLGEN-CID: A canonizer for molecules and graphs accessible through the Internet. J Chem Inf Comput Sci, 44(2): 542-8
|
|
13
|
Das, K.Ch., Gutman, I. (2004) Some properties of the second Zagreb index. Communications in Mathematical and in Computer Chemistry / MATCH, br. 52, str. 103-112
|
|
37
|
Gutman, I., Ruščić, B., Trinajstić, N., Wilcox, C.F. (1975) Graph theory and molecular orbitals, XII: Acyclic polyenes. Journal of Chemical Physics, 62(9): 3399-405
|
|
 25
|
Gutman, I., das Kinkar, Ch. (2004) The first Zagreb index 30 years after. Communications in Mathematical and in Computer Chemistry / MATCH, br. 50, str. 83-92
|
|
5
|
Gutman, I. (2001) On walks in molecular graphs. J Chem Inf Comput Sci, 41(3): 739-45
|
|
1
|
Kerber, A., Laue, R., Meringer, M., Rucker, C. (2004) MOLGEN-QSPR: A software package for the study of quantitative structure property relationships. Communications in Mathematical and in Computer Chemistry / MATCH, br. 51, str. 187-204
|
|
9
|
Kier, L.B., Hall, L.H. (1999) Molecular structure description: The electrotopological state. New York-San Diego, itd: Academic Press
|
|
|
Meringer, M. (2004) Mathematical models for combinatorial chemistry and molecular structure elucidation. Universität Bayreuth, PhD thesis, in German
|
|
30
|
Nikolić, S., Kovačević, G., Miličević, A., Trinajstić, N. (2003) The Zagreb indices 30 years after. Croat. Chem. Acta, 76 (2), 113-124
|
|
1
|
Ren, B. (2003) Atomic-level-based AI topological descriptors for structure-property correlations. J Chem Inf Comput Sci, 43(1): 161-9
|
|
4
|
Rucker, C., Rucker, G. (2000) Walk counts, labyrinthicity, and complexityof acyclic and cyclic graphs and molecules. J Chem Inf Comput Sci, 40, str. 99-106
|
|
1
|
Rucker, C., Braun, J., Kerber, A., Laue, R. (2003) The molecular descriptors computed with MOLGEN. http://www.mathe2.uni-bayreuth.de/-molgenqspr
|
|
8
|
Rucker, G., Rucker, C. (1993) Counts of all walks as atomic and molecular descriptors. J Chem Inf Comput Sci, 33, 5, 683-695
|
|
1
|
Taraviras, S.L., Ivanciuc, O., Cabrol-Bass, D. (2000) Identification of groupings of graph theoretical molecular descriptors using a hybrid cluster analysis approach. J Chem Inf Comput Sci, 40(5): 1128-46
|
|
75
|
Todeschini, R., Consonni, V. (2000) Handbook of molecular descriptors: Methods and principles in medicinal chemistry. Weinheim: Wiley
|
|
1
|
Wildman, S.A., Crippen, G.M. (1999) Prediction of physicochemical parameters by atomic contributions. J Chem Inf Comput Sci, 39, 868-873
|
|
|
|
|