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Journal of Molecular Structure: THEOCHEM

Volumn 424, Issue 3, 1998, Pages 237-247

3D weighting of molecular descriptors for QSPR/QSAR by the method of ideal symmetry (MIS). 1. Application to boiling points of alkanes

(4) Toropov, Andrey a Toropova, Alla b Ismailov, Temur b Bonchev, Danail c,d

a Institute of Polymer Chemistry and Physics Academy of Science of the Republic Uzbekistan (Uzbekistan)

b NATIONAL UNIVERSITY OF UZBEKISTAN (Uzbekistan)

c TEXAS A AND M UNIVERSITY (United States)

d ASSEN ZLATAROV UNIVERSITY (Bulgaria)

Author keywords

3D atomic weights; 3D molecular descriptors; Alkane properties; Method of ideal symmetry; QSPR

Indexed keywords

EID: 0041353726 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(97)00151-6 Document Type: Article

Times cited : (35)

References (51)

1
- 0002484325
- A.T. Balaban, I. Motoc, D. Bonchev, O. Mekenyan, Topics Curr. Chem. 114 (1983) 21.
- (1983) Topics Curr. Chem. , vol.114 , pp. 21
- Balaban, A.T.¹ Motoc, I.² Bonchev, D.³ Mekenyan, O.⁴

2
- 0003391553
- CRC Press, Boca Raton, FL
- N. Trinajstić, Chemical Graph Theory, 2nd edn, CRC Press, Boca Raton, FL, 1992.
- (1992) Chemical Graph Theory, 2nd Edn
- Trinajstić, N.¹

3
- 0001616481
- M. Randić, N. Trinajstić, J. Mol. Struct. 300 (1993) 551.
- (1993) J. Mol. Struct. , vol.300 , pp. 551
- Randić, M.¹ Trinajstić, N.²

4
- 84990717893
- D. Bonchev, N. Trinajstić, Int. J. Quantum Chem. Symp. 16 (1982) 463.
- (1982) Int. J. Quantum Chem. Symp. , vol.16 , pp. 463
- Bonchev, D.¹ Trinajstić, N.²

5
- 0004045779
- Research Studies Press, Chichester, UK
- D. Bonchev, Information-Theoretic Indices for Characterization of Chemical Structures, Research Studies Press, Chichester, UK, 1983.
- (1983) Information-Theoretic Indices for Characterization of Chemical Structures
- Bonchev, D.¹

6
- 5344262585
- P.G. Seybold, M. May, U.A. Bagal, J. Chem. Educ. 64 (1987) 575.
- (1987) J. Chem. Educ. , vol.64 , pp. 575
- Seybold, P.G.¹ May, M.² Bagal, U.A.³

7
- 0000422818
- S.C. Basak, G.J. Niemi, G.D. Veith, J. Math. Chem. 4 (1990) 185.
- (1990) J. Math. Chem. , vol.4 , pp. 185
- Basak, S.C.¹ Niemi, G.J.² Veith, G.D.³

8
- 0000969438
- S.C. Basak, G.J. Niemi, G.D. Veith, J. Math. Chem. 7 (1991) 243.
- (1991) J. Math. Chem. , vol.7 , pp. 243
- Basak, S.C.¹ Niemi, G.J.² Veith, G.D.³

9
- 0003493765
- Academic Press, New York
- L.B. Kier, L.H. Hall, Molecular Connectivity in Chemistry and Drug Research, Academic Press, New York, 1976; Molecular Connectivity in Structure-Activity Analysis, Research Studies Press, Chichester, UK, 1986.
- (1976) Molecular Connectivity in Chemistry and Drug Research
- Kier, L.B.¹ Hall, L.H.²

10
- 0003816887
- Research Studies Press, Chichester, UK
- L.B. Kier, L.H. Hall, Molecular Connectivity in Chemistry and Drug Research, Academic Press, New York, 1976; Molecular Connectivity in Structure-Activity Analysis, Research Studies Press, Chichester, UK, 1986.
- (1986) Molecular Connectivity in Structure-Activity Analysis

11
- 0002220828
- D. Bonchev, O. Mekenyan (Eds.) Kluwer Academic, Dordrecht, The Netherlands
- O. Mekenyan, S.C. Basak, in D. Bonchev, O. Mekenyan (Eds.) Graph Theoretical Approaches to Chemical Reactivity, Kluwer Academic, Dordrecht, The Netherlands, 1994, p. 221.
- (1994) Graph Theoretical Approaches to Chemical Reactivity , pp. 221
- Mekenyan, O.¹ Basak, S.C.²

12
- 33745845774
- Springer, Berlin
- A.T. Balaban, A. Chiriac, I. Motoc, Z. Simon, Steric Fit in QSAR, Lecture Notes in Chemistry, No. 15, Springer, Berlin, 1980.
- (1980) Steric Fit in QSAR, Lecture Notes in Chemistry, No. 15 , vol.15
- Balaban, A.T.¹ Chiriac, A.² Motoc, I.³ Simon, Z.⁴

13
- 0002225001
- M. Randić, J. Math. Chem. 9 (1992) 97.
- (1992) J. Math. Chem. , vol.9 , pp. 97
- Randić, M.¹

14
- 0027692921
- A.R. Katritzky, E.V. Gordeeva, J. Chem. Inf. Comput. Sci. 33 (1993) 835.
- (1993) J. Chem. Inf. Comput. Sci. , vol.33 , pp. 835
- Katritzky, A.R.¹ Gordeeva, E.V.²

15
- 84990639714
- M. Randić, Int. J. Quantum Chem. Symp. 15 (1988) 201.
- (1988) Int. J. Quantum Chem. Symp. , vol.15 , pp. 201
- Randić, M.¹

16
- 0028396152
- M. Randić, J. Chem. Inf. Comput. Sci. 34 (1994) 277.
- (1994) J. Chem. Inf. Comput. Sci. , vol.34 , pp. 277
- Randić, M.¹

17
- 85033877864
- in press
- M. Randić, J. Chem. Inf. Comput. Sci. (in press).
- J. Chem. Inf. Comput. Sci.
- Randić, M.¹

18
- 0022648785
- O. Mekenyan, D. Peitehev, D. Bonchev, N. Trinajstić, I. Bangov, Drug Design 36 (1986) 176.
- (1986) Drug Design , vol.36 , pp. 176
- Mekenyan, O.¹ Peitehev, D.² Bonchev, D.³ Trinajstić, N.⁴ Bangov, I.⁵

19
- 0000167603
- B. Bogdanov, S. Nikolić, N. Trinajstić, J. Math. Chem. 3 (1989) 299.
- (1989) J. Math. Chem. , vol.3 , pp. 299
- Bogdanov, B.¹ Nikolić, S.² Trinajstić, N.³

20
- 21144472122
- A.A. Toropov, B.G. Ishakov, R.A. Muftahov, T. Ismailov, A.T. Mamadalimov, Russ. J. Phys. Chem. 66 (1992) 1074.
- (1992) Russ. J. Phys. Chem. , vol.66 , pp. 1074
- Toropov, A.A.¹ Ishakov, B.G.² Muftahov, R.A.³ Ismailov, T.⁴ Mamadalimov, A.T.⁵

21
- 21344479685
- A.A. Toropov, A.F. Toropova, R.A. Muftahov, T. Ismailov, A.G. Muftahov, Russ. J. Phys. Chem. 68 (1994) 577.
- (1994) Russ. J. Phys. Chem. , vol.68 , pp. 577
- Toropov, A.A.¹ Toropova, A.F.² Muftahov, R.A.³ Ismailov, T.⁴ Muftahov, A.G.⁵

22
- 0004142591
- Addison-Wesley, New York
- R.J. Gillespie, Molecular Geometry, Addison-Wesley, New York, 1972.
- (1972) Molecular Geometry
- Gillespie, R.J.¹

23
- 0004149851
- Springer, New York
- D.L. Keppert, Inorganic Stereochemistry, Springer, New York, 1972.
- (1972) Inorganic Stereochemistry
- Keppert, D.L.¹

24
- 0024059337
- G.M. Crippen, A.S. Smellie, J.W. Peng, J. Chem. Inf. Comput. Sci. 28 (1988) 125.
- (1988) J. Chem. Inf. Comput. Sci. , vol.28 , pp. 125
- Crippen, G.M.¹ Smellie, A.S.² Peng, J.W.³

25
- 0008836204
- Wiley, New York
- T.F. Havel, in: Encyclopedia of NMR, Wiley, New York, 1995.
- (1995) Encyclopedia of NMR
- Havel, T.F.¹

26
- 33847087299
- D. Bonchev, A.T. Balaban, O. Mekenyan, J. Chem. Inf. Comput. Sci. 20 (1980) 106.
- (1980) J. Chem. Inf. Comput. Sci. , vol.20 , pp. 106
- Bonchev, D.¹ Balaban, A.T.² Mekenyan, O.³

27
- 36749120371
- I. Gutman, B. Rus̀čic, N. Trinajstić, C.W. Wilcox Jr, J. Chem. Phys. 69 (1975) 3399.
- (1975) J. Chem. Phys. , vol.69 , pp. 3399
- Gutman, I.¹ Rus̀čic, B.² Trinajstić, N.³ Wilcox C.W., Jr.⁴

28
- 8644280181
- M. Randić, J. Am. Chem. Soc. 97 (1975) 6609.
- (1975) J. Am. Chem. Soc. , vol.97 , pp. 6609
- Randić, M.¹

29
- 0016771380
- L.B. Kier, L.H. Hall, W.J. Murray, M. Randić, J. Pharm. Sci. 64 (1975) 1971.
- (1975) J. Pharm. Sci. , vol.64 , pp. 1971
- Kier, L.B.¹ Hall, L.H.² Murray, W.J.³ Randić, M.⁴

30
- 0002153026
- D. Bonchev, L.B. Kier, J. Math. Chem. 9 (1992) 75.
- (1992) J. Math. Chem. , vol.9 , pp. 75
- Bonchev, D.¹ Kier, L.B.²

31
- 0013662762
- D. Bonchev, X. Liu, D.J. Klein, Croat. Chem. Acta 66 (1993) 141.
- (1993) Croat. Chem. Acta , vol.66 , pp. 141
- Bonchev, D.¹ Liu, X.² Klein, D.J.³

32
- 85033877165
- private communication
- W.C. Herndon (private communication).
- Herndon, W.C.¹

33
- 0025658802
- O. Mekenyan, S. Karabunarliev, D. Bonchev, Comput. Chem. 14 (1990) 193.
- (1990) Comput. Chem. , vol.14 , pp. 193
- Mekenyan, O.¹ Karabunarliev, S.² Bonchev, D.³

34
- 0027310907
- D. Bonchev, C.F. Mountain, W.A. Seitz, A.T. Balaban, J. Med. Chem. 36 (1993) 1562.
- (1993) J. Med. Chem. , vol.36 , pp. 1562
- Bonchev, D.¹ Mountain, C.F.² Seitz, W.A.³ Balaban, A.T.⁴

35
- 8544254107
- H. Wiener, J. Am. Chem. Soc., 69 (1947) 17; 69 (1947) 2636.
- (1947) J. Am. Chem. Soc. , vol.69 , pp. 17
- Wiener, H.¹

36
- 33947441259
- H. Wiener, J. Am. Chem. Soc., 69 (1947) 17; 69 (1947) 2636.
- (1947) J. Am. Chem. Soc. , vol.69 , pp. 2636

37
- 0001219776
- H. Hosoya, Bull. Chem. Soc. Jpn 44 (1971) 2332.
- (1971) Bull. Chem. Soc. Jpn , vol.44 , pp. 2332
- Hosoya, H.¹

38
- 0343071989
- D. Bonchev, N. Trinajstić, J. Chem. Phys. 67 (1977) 4517.
- (1977) J. Chem. Phys. , vol.67 , pp. 4517
- Bonchev, D.¹ Trinajstić, N.²

39
- 0041956702
- W.Y. Yee, K. Sakamoto, Y.J. l'Haya, Rep. Univ. Electro-comm., 27 (1976) 53; K. Sakamoto, W.Y. Yee, Y.J. l'Haya, Rep. Univ. Electro-comm., 27 (1977) 227.
- (1976) Rep. Univ. Electro-comm. , vol.27 , pp. 53
- Yee, W.Y.¹ Sakamoto, K.² L'Haya, Y.J.³

40
- 84909838931
- W.Y. Yee, K. Sakamoto, Y.J. l'Haya, Rep. Univ. Electro-comm., 27 (1976) 53; K. Sakamoto, W.Y. Yee, Y.J. l'Haya, Rep. Univ. Electro-comm., 27 (1977) 227.
- (1977) Rep. Univ. Electro-comm. , vol.27 , pp. 227
- Sakamoto, K.¹ Yee, W.Y.² L'Haya, Y.J.³

41
- 9444296174
- A.T. Balaban, Chem. Phys. Lett. 89 (1982) 399.
- (1982) Chem. Phys. Lett. , vol.89 , pp. 399
- Balaban, A.T.¹

42
- 0000569170
- A.T. Balaban, Theor. Chim. Acta 53 (1979) 355.
- (1979) Theor. Chim. Acta , vol.53 , pp. 355
- Balaban, A.T.¹

43
- 22544476470
- Z. Mihalić, N. Trinajstić, J. Chem. Educ. 69 (1992) 701.
- (1992) J. Chem. Educ. , vol.69 , pp. 701
- Mihalić, Z.¹ Trinajstić, N.²

44
- 0028466537
- R. Gautzsch, P. Zinn, J. Chem. Inf. Comput. Sci. 34 (1994) 791.
- (1994) J. Chem. Inf. Comput. Sci. , vol.34 , pp. 791
- Gautzsch, R.¹ Zinn, P.²

45
- 0028465367
- L.M. Egolf, M.D. Wessel, P.C. Jurs, J. Chem. Inf. Comput. Sci. 34 (1994) 941.
- (1994) J. Chem. Inf. Comput. Sci. , vol.34 , pp. 941
- Egolf, L.M.¹ Wessel, M.D.² Jurs, P.C.³

46
- 85033879804
- private communication
- W.C. Herndon (private communication).
- Herndon, W.C.¹

47
- 0001239360
- M. Randić, J. Chem. Inf. Comput. Sci. 31 (1991) 311.
- (1991) J. Chem. Inf. Comput. Sci. , vol.31 , pp. 311
- Randić, M.¹

48
- 0000026339
- M. Randić, New J. Chem. 15 (1991) 517.
- (1991) New J. Chem. , vol.15 , pp. 517
- Randić, M.¹

49
- 0003950694
- Elsevier, Amsterdam
- A.L. Horvath, Molecular Design: Chemical Structure Generation from the Properties of Pure Organic Compounds, Elsevier, Amsterdam, 1992.
- (1992) Molecular Design: Chemical Structure Generation from the Properties of Pure Organic Compounds
- Horvath, A.L.¹

50
- 0003816887
- Research Studies Press, Chichester, UK
- L.B. Kier, L.H. Hall, Molecular Connectivity in Structure-Activity Analysis. Research Studies Press, Chichester, UK, 1986.
- (1986) Molecular Connectivity in Structure-Activity Analysis
- Kier, L.B.¹ Hall, L.H.²

51
- 0042413632
- J.T. Edward, Can. J. Chem. 60 (1982) 480.
- (1982) Can. J. Chem. , vol.60 , pp. 480
- Edward, J.T.¹

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