-
8
-
-
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
-
9
-
-
0000972401
-
Chemical Graphs. Part 35. Five New Topological Indices for the Branching of Tree-Like Graphs
-
(a) Balaban, A. T. Chemical Graphs. Part 35. Five New Topological Indices for the Branching of Tree-Like Graphs. Theor. Chim. Acta 1979, 5, 239-261.
-
(1979)
Theor. Chim. Acta
, vol.5
, pp. 239-261
-
-
Balaban, A.T.1
-
10
-
-
33847087299
-
Generalization of the Graph Centre Concept and Derived Topological Indices
-
(b) Bonchev, D.; Balaban, A. T.; Mekenyan, O. Generalization of the Graph Centre Concept and Derived Topological Indices. J. Chem. Inf. Comput. Sci. 1980, 20, 196-213.
-
(1980)
J. Chem. Inf. Comput. Sci.
, vol.20
, pp. 196-213
-
-
Bonchev, D.1
Balaban, A.T.2
Mekenyan, O.3
-
11
-
-
0039987041
-
New Centric Topological Indexes for Acyclic Molecules (Trees) and Substituents (Rooted Trees), and Coding of Rooted Trees
-
(c) Balaban, A. T.; Bertelsen, S.; Basak, S. C. New Centric Topological Indexes for Acyclic Molecules (Trees) and Substituents (Rooted Trees), and Coding of Rooted Trees, Math. Chem. (MATCH) 1994, 30, 55-72.
-
(1994)
Math. Chem. (MATCH)
, vol.30
, pp. 55-72
-
-
Balaban, A.T.1
Bertelsen, S.2
Basak, S.C.3
-
12
-
-
8644280181
-
On Characterization of Molecular Branching
-
Randić, M. On Characterization of Molecular Branching. J. Am. Chem. Soc. 1975, 97, 6609-6615.
-
(1975)
J. Am. Chem. Soc.
, vol.97
, pp. 6609-6615
-
-
Randić, M.1
-
16
-
-
9444296174
-
Highly Discriminating Distance-Based Topological Index
-
(a) Balaban, A. T. Highly Discriminating Distance-Based Topological Index. Chem. Phys. Lett. 1982, 80, 399-404.
-
(1982)
Chem. Phys. Lett.
, vol.80
, pp. 399-404
-
-
Balaban, A.T.1
-
17
-
-
84961488478
-
Topological Indices Based on Topological Distances in Molecular Graphs
-
(b) Balaban, A. T. Topological Indices Based on Topological Distances in Molecular Graphs. Pure Appl. Chem. 1983, 55, 199-206.
-
(1983)
Pure Appl. Chem.
, vol.55
, pp. 199-206
-
-
Balaban, A.T.1
-
18
-
-
0000455350
-
Chemical Graphs. 48. Topological Index J for Heteroatom-Containing Molecules Taking into Account Periodicities of Element Properties
-
(c) Balaban, A. T. Chemical Graphs. 48. Topological Index J for Heteroatom-Containing Molecules Taking into Account Periodicities of Element Properties. Math. Chem. (MATCH) 1986, 21, 115-122.
-
(1986)
Math. Chem. (MATCH)
, vol.21
, pp. 115-122
-
-
Balaban, A.T.1
-
19
-
-
0000824016
-
Computer Program for Topological Index J (Average Distance Sum Connectivity)
-
(d) Balaban, A. T.; Filip, P. Computer Program for Topological Index J (Average Distance Sum Connectivity). Math. Chem. (MATCH) 1984, 16, 163-190.
-
(1984)
Math. Chem. (MATCH)
, vol.16
, pp. 163-190
-
-
Balaban, A.T.1
Filip, P.2
-
22
-
-
33751392302
-
Using Real Numbers as Vertex Invariants for Third-Generation Topological Indices
-
Balaban, A. T. Using Real Numbers as Vertex Invariants for Third-Generation Topological Indices. J. Chem. Inf. Comput. Sci. 1992, 32, 23-28.
-
(1992)
J. Chem. Inf. Comput. Sci.
, vol.32
, pp. 23-28
-
-
Balaban, A.T.1
-
23
-
-
45949126191
-
Topological Indices: Their Nature, Mutual Relatedness, and Applications
-
Basak, S. C.; Niemi, G. J.; Regal, R. R.; Veith, G. D. Topological Indices: Their Nature, Mutual Relatedness, and Applications. Math. Modell. 1987, 8, 300-305.
-
(1987)
Math. Modell.
, vol.8
, pp. 300-305
-
-
Basak, S.C.1
Niemi, G.J.2
Regal, R.R.3
Veith, G.D.4
-
24
-
-
36749120371
-
Graph Theory and Molecular Orbitals. XII. Acyclic Polyenes
-
Gutman, I.; Ruscic, B.; Trinajstić, N.; Wilcox, C. F., Jr. Graph Theory and Molecular Orbitals. XII. Acyclic Polyenes. J. Chem. Phys. 1975, 62, 3399-3405.
-
(1975)
J. Chem. Phys.
, vol.62
, pp. 3399-3405
-
-
Gutman, I.1
Ruscic, B.2
Trinajstić, N.3
Wilcox C.F., Jr.4
-
25
-
-
84856043672
-
A Mathematical Theory of Communication
-
Shannon, C. A Mathematical Theory of Communication. Bell Syst. Technol. J. 1948, 27, 379-423.
-
(1948)
Bell Syst. Technol. J.
, vol.27
, pp. 379-423
-
-
Shannon, C.1
-
26
-
-
0010004128
-
New Vertex Invariants and Topological Indices of Chemical Graphs Based on Information on Distances
-
Balaban, A. T.; Balaban, T. S. New Vertex Invariants and Topological Indices of Chemical Graphs Based on Information on Distances. J. Math. Chem. 1991, 8, 383-397.
-
(1991)
J. Math. Chem.
, vol.8
, pp. 383-397
-
-
Balaban, A.T.1
Balaban, T.S.2
-
27
-
-
33847029884
-
A New Approach for Devising Local Graph Invariants: Derived Topological Indices with Low Degeneracy and Good Correlational Ability
-
Filip, P. A.; Balaban, T. S.; Balaban, A. T. A New Approach for Devising Local Graph Invariants: Derived Topological Indices with Low Degeneracy and Good Correlational Ability. J. Math. Chem. 1987, 1, 61-83.
-
(1987)
J. Math. Chem.
, vol.1
, pp. 61-83
-
-
Filip, P.A.1
Balaban, T.S.2
Balaban, A.T.3
-
28
-
-
0041834164
-
Design of Topological Indices. Part 4. Reciprocal Distance Matrix, Related Local Vertex Invariants and Topological Indices
-
(a) Ivanciuc, O.; Balaban, T. S.; Balaban, A. T. Design of Topological Indices. Part 4. Reciprocal Distance Matrix, Related Local Vertex Invariants and Topological Indices. J. Math. Chem. 1993, 12, 309-318.
-
(1993)
J. Math. Chem.
, vol.12
, pp. 309-318
-
-
Ivanciuc, O.1
Balaban, T.S.2
Balaban, A.T.3
-
29
-
-
9644276263
-
On the Harary Index for Characterization of Chemical Graphs
-
(b) Plavsic, D.; Nikolić, S.; Trinajstić, N.; Mihalic, Z. On the Harary Index for Characterization of Chemical Graphs. J. Math. Chem. 1993, 12, 235-250.
-
(1993)
J. Math. Chem.
, vol.12
, pp. 235-250
-
-
Plavsic, D.1
Nikolić, S.2
Trinajstić, N.3
Mihalic, Z.4
-
30
-
-
0000651513
-
Real Number Vertex Invariants: Regressive Distance Sums and Related Topological Indices
-
(a) 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
-
31
-
-
84986431966
-
Molecular Topology. Part 4. Regessive Vertex Degrees (New Graph Invariants) and Derived Topological Indices
-
(b) Diudea, M. V.; Minailiuc, O.; Balaban, A. T. Molecular Topology. Part 4. Regessive Vertex Degrees (New Graph Invariants) and Derived Topological Indices. J. Comput. Chem. 1991, 12, 527-535.
-
(1991)
J. Comput. Chem.
, vol.12
, pp. 527-535
-
-
Diudea, M.V.1
Minailiuc, O.2
Balaban, A.T.3
-
32
-
-
0031460892
-
Szeged Matrices and Related Numbers
-
Diudea, M. V.; Minailiuc, O.; Katona, G.; Gutman, I. Szeged Matrices and Related Numbers. Math. Chem. (MATCH) 1997, 35, 129-143.
-
(1997)
Math. Chem. (MATCH)
, vol.35
, pp. 129-143
-
-
Diudea, M.V.1
Minailiuc, O.2
Katona, G.3
Gutman, I.4
-
34
-
-
0001760991
-
Optimal Molecular Descriptors Based on Weighted Path Numbers
-
(a) Randić, M.; Basak, S. C. Optimal Molecular Descriptors Based on Weighted Path Numbers. J. Chem. Inf. Comput. Sci. 1999, 39, 261-266.
-
(1999)
J. Chem. Inf. Comput. Sci.
, vol.39
, pp. 261-266
-
-
Randić, M.1
Basak, S.C.2
-
35
-
-
0002480134
-
Characterization of Molecular Structures Using Topological Indices
-
(b) Basak, S. C.; Gute, B. D. Characterization of Molecular Structures Using Topological Indices. SAR QSAR Environ. Res. 1997, 7, 1-21.
-
(1997)
SAR QSAR Environ. Res.
, vol.7
, pp. 1-21
-
-
Basak, S.C.1
Gute, B.D.2
-
36
-
-
0031305152
-
Predicting Acute Toxicity of Benzene Derivatives Using Theoretical Molecular Descriptors: A Hierarchical QSAR Approach
-
(c) Gute, B. D.; Basak, S. C. Predicting Acute Toxicity of Benzene Derivatives Using Theoretical Molecular Descriptors: A Hierarchical QSAR Approach. SAR QSAR Environ. Res. 1997, 7, 117-131.
-
(1997)
SAR QSAR Environ. Res.
, vol.7
, pp. 117-131
-
-
Gute, B.D.1
Basak, S.C.2
-
37
-
-
0000969438
-
Predicting Properties of Molecules Using Graph Invariants
-
(d) Basak, S. C.; Niemi, G. J.; Veith, G. D. Predicting Properties of Molecules Using Graph Invariants. J. Math. Chem. 1991, 7, 243-272.
-
(1991)
J. Math. Chem.
, vol.7
, pp. 243-272
-
-
Basak, S.C.1
Niemi, G.J.2
Veith, G.D.3
-
38
-
-
0003082376
-
Use of Graph Invariants, Volume and Total Surface Area in Predicting Boiling Point of Alkanes
-
(e) Basak, S. C.; Grunwald, G. D. Use of Graph Invariants, Volume and Total Surface Area in Predicting Boiling Point of Alkanes. Math. Modell. Sci. Comput. 1993, 2, 735-740.
-
(1993)
Math. Modell. Sci. Comput.
, vol.2
, pp. 735-740
-
-
Basak, S.C.1
Grunwald, G.D.2
-
39
-
-
0011957967
-
Use of Topological Space and Property Space in Selecting Structural Analogs
-
in press
-
(f) Basak, S. C.; Grunwald, G. D. Use of Topological Space and Property Space in Selecting Structural Analogs. Math. Modell. Sci. Comput., in press.
-
Math. Modell. Sci. Comput.
-
-
Basak, S.C.1
Grunwald, G.D.2
-
40
-
-
0011931749
-
Quantitative Comparison of Five Molecular Structure Spaces in Selecting Analogs of Chemicals
-
in press
-
(g) Basak, S. C.; Gute, B. D.; Grunwald, G. D. Quantitative Comparison of Five Molecular Structure Spaces in Selecting Analogs of Chemicals. Math. Modell. Comput. Sci., in press,
-
Math. Modell. Comput. Sci.
-
-
Basak, S.C.1
Gute, B.D.2
Grunwald, G.D.3
-
41
-
-
0012047113
-
Development and Applications of Molecular Similarity Methods Using Nonempirical Parameters
-
in press
-
(h) Basak, S. C.; Gute, B. D.; Grunwald, G. D. Development and Applications of Molecular Similarity Methods Using Nonempirical Parameters. Math. Modell. Sci. Comput., in press.
-
Math. Modell. Sci. Comput.
-
-
Basak, S.C.1
Gute, B.D.2
Grunwald, G.D.3
-
42
-
-
0029088410
-
Predicting Mutagenicity of Chemicals Using Topological and Quantum Chemical Parameters: A Similarity Based Study
-
(i) Basak, S. C.; Grunwald, G. D. Predicting Mutagenicity of Chemicals Using Topological and Quantum Chemical Parameters: A Similarity Based Study. Chemosphere 1995, 31, 2529-2546.
-
(1995)
Chemosphere
, vol.31
, pp. 2529-2546
-
-
Basak, S.C.1
Grunwald, G.D.2
-
43
-
-
0029119326
-
Use of Graph Theoretic Parameters in Risk Assessment of Chemicals
-
(J) Basak, S. C.; Bertelsen, S.; Grunwald, G. D. Use of Graph Theoretic Parameters in Risk Assessment of Chemicals. Toxicol. Lett. 1995, 79, 239-250.
-
(1995)
Toxicol. Lett.
, vol.79
, pp. 239-250
-
-
Basak, S.C.1
Bertelsen, S.2
Grunwald, G.D.3
-
44
-
-
0002128719
-
Use of Graph Theoretic Parameters in Predicting Inhibition of Microsomal Hydroxylation of Anilines by Alcohols: A Molecular Similarity Approach
-
Johnson, B. L., Xintaras, C., Andrews, J. S., Eds.; Princeton Scientific Publishing Co. Inc.: Princeton, NJ
-
(k) Basak, S. C.; Gute, B. D. Use of Graph Theoretic Parameters in Predicting Inhibition of Microsomal Hydroxylation of Anilines by Alcohols: A Molecular Similarity Approach. In Proceedings of the International Congress on Hazardous Waste: Impact on Human and Ecological Health; Johnson, B. L., Xintaras, C., Andrews, J. S., Eds.; Princeton Scientific Publishing Co. Inc.: Princeton, NJ, 1997; pp 492-504.
-
(1997)
Proceedings of the International Congress on Hazardous Waste: Impact on Human and Ecological Health
, pp. 492-504
-
-
Basak, S.C.1
Gute, B.D.2
-
45
-
-
0011965912
-
Predicting Genotoxicity of Chemicals Using Nonempirical Parameters
-
R. S. Rao, M. G. Deo, L. D. Sanghvi, Eds.; Monduzzi Editore S.p.A.: Bologna, Italy
-
(l) Basak, S. C.; Grunwald, G. D. Predicting Genotoxicity of Chemicals Using Nonempirical Parameters. In Proceeding of XVI International Cancer Congress; R. S. Rao, M. G. Deo, L. D. Sanghvi, Eds.; Monduzzi Editore S.p.A.: Bologna, Italy, 1995; pp 413-416.
-
(1995)
Proceeding of XVI International Cancer Congress
, vol.16
, pp. 413-416
-
-
Basak, S.C.1
Grunwald, G.D.2
-
46
-
-
0031799568
-
A Comparative Study of Molecular Similarity, Statistical and Neural Network Methods for Predicting Toxic Modes of Action of Chemicals
-
(m) Basak, S. C.; Grunwald, G. D.; Host, G. E.; Niemi, G. J.; Bradbury, S. P. A Comparative Study of Molecular Similarity, Statistical and Neural Network Methods for Predicting Toxic Modes of Action of Chemicals, Environ. Toxicol. Chem. 1998, 17, 1056-1064.
-
(1998)
Environ. Toxicol. Chem.
, vol.17
, pp. 1056-1064
-
-
Basak, S.C.1
Grunwald, G.D.2
Host, G.E.3
Niemi, G.J.4
Bradbury, S.P.5
-
48
-
-
0029938236
-
Predicting Blood-Brain Transport of Drugs: A Computational Approach
-
(o) Basak, S. C.; Gute, B. D.; Drewes, L. R. Predicting Blood-Brain Transport of Drugs: A Computational Approach. Pharm. Res. 1996, 13, 775-778.
-
(1996)
Pharm. Res.
, vol.13
, pp. 775-778
-
-
Basak, S.C.1
Gute, B.D.2
Drewes, L.R.3
-
49
-
-
0002524571
-
A Comparative Study of Topological and Geometrical Parameters in Estimating Normal Boiling Point and Octanol-Water Partition Coefficient
-
(p) Basak, S. C.; Gute, B. D.; Grunwald, G. D. A Comparative Study of Topological and Geometrical Parameters in Estimating Normal Boiling Point and Octanol-Water Partition Coefficient. J. Chem. Inf. Comput. Sci. 1996, 36, 1054-1060.
-
(1996)
J. Chem. Inf. Comput. Sci.
, vol.36
, pp. 1054-1060
-
-
Basak, S.C.1
Gute, B.D.2
Grunwald, G.D.3
-
50
-
-
0032616479
-
Prediction of the Dermal Penetration of Polycyclic Aromatic Hydrocarbons (PAHs): A Hierarchical QSAR Approach
-
(q) Gute, B. D.; Grunwald, G. D.; Basak, S. C. Prediction of the Dermal Penetration of Polycyclic Aromatic Hydrocarbons (PAHs): A Hierarchical QSAR Approach. SAR QSAR Environ. Res. 1999, 10, 1-15.
-
(1999)
SAR QSAR Environ. Res.
, vol.10
, pp. 1-15
-
-
Gute, B.D.1
Grunwald, G.D.2
Basak, S.C.3
-
51
-
-
85037517354
-
Investigation of Alkane Branching with Topological Indices
-
in press
-
Ivanciuc, O.; Balaban, A. T. Investigation of Alkane Branching with Topological Indices. Math. Chem. (MATCH), in press.
-
Math. Chem. (MATCH)
-
-
Ivanciuc, O.1
Balaban, A.T.2
-
53
-
-
0003206802
-
Topological Indices: Intercorrelations, Physical Meaning, Correlational Ability
-
Motoc, I.; Balaban, A. T. Topological Indices: Intercorrelations, Physical Meaning, Correlational Ability. Rev. Roum. Chim. 1981, 26, 593-600. Motoc, I.; Balaban, A. T.; Mekenyan, O.; Bonchev, D. Topological Indices: Inter-Relations and Composition. Math. Chem. (MATCH) 1982, 13, 369-404.
-
(1981)
Rev. Roum. Chim.
, vol.26
, pp. 593-600
-
-
Motoc, I.1
Balaban, A.T.2
-
54
-
-
0011445942
-
Topological Indices: Inter-Relations and Composition
-
Motoc, I.; Balaban, A. T. Topological Indices: Intercorrelations, Physical Meaning, Correlational Ability. Rev. Roum. Chim. 1981, 26, 593-600. Motoc, I.; Balaban, A. T.; Mekenyan, O.; Bonchev, D. Topological Indices: Inter-Relations and Composition. Math. Chem. (MATCH) 1982, 13, 369-404.
-
(1982)
Math. Chem. (MATCH)
, vol.13
, pp. 369-404
-
-
Motoc, I.1
Balaban, A.T.2
Mekenyan, O.3
Bonchev, D.4
-
55
-
-
0002484325
-
Topological Indices for Structure-Activity Correlations
-
Balaban, A. T.; Motoc, I.; Bonchev, D.; Mekenyan, O. Topological Indices for Structure-Activity Correlations. In Steric Effects in Drug Design; Charton, M., Motoc, I., Eds.; Top. Curr. Chem. 1983, 114, 21-55. Balaban, A. T.; Niculescu-Duvaz, I.;. Simon, Z. Topological Aspects in QSAR for Biologically-Active Molecules. Acta Pharm. Jugosl. 1987, 37, 7-36. Voiculetz, N.; Balaban, A. T. NiculescuDuvaz, I.; Simon, Z. Modeling of Cancer Genesis and Prevention: CRC Press: Boca Raton, FL, 1990.
-
Steric Effects in Drug Design
-
-
Balaban, A.T.1
Motoc, I.2
Bonchev, D.3
Mekenyan, O.4
-
56
-
-
0002484325
-
-
Balaban, A. T.; Motoc, I.; Bonchev, D.; Mekenyan, O. Topological Indices for Structure-Activity Correlations. In Steric Effects in Drug Design; Charton, M., Motoc, I., Eds.; Top. Curr. Chem. 1983, 114, 21-55. Balaban, A. T.; Niculescu-Duvaz, I.;. Simon, Z. Topological Aspects in QSAR for Biologically-Active Molecules. Acta Pharm. Jugosl. 1987, 37, 7-36. Voiculetz, N.; Balaban, A. T. NiculescuDuvaz, I.; Simon, Z. Modeling of Cancer Genesis and Prevention: CRC Press: Boca Raton, FL, 1990.
-
(1983)
Top. Curr. Chem.
, vol.114
, pp. 21-55
-
-
Charton, M.1
Motoc, I.2
-
57
-
-
0023113740
-
Topological Aspects in QSAR for Biologically-Active Molecules
-
Balaban, A. T.; Motoc, I.; Bonchev, D.; Mekenyan, O. Topological Indices for Structure-Activity Correlations. In Steric Effects in Drug Design; Charton, M., Motoc, I., Eds.; Top. Curr. Chem. 1983, 114, 21-55. Balaban, A. T.; Niculescu-Duvaz, I.;. Simon, Z. Topological Aspects in QSAR for Biologically-Active Molecules. Acta Pharm. Jugosl. 1987, 37, 7-36. Voiculetz, N.; Balaban, A. T. NiculescuDuvaz, I.; Simon, Z. Modeling of Cancer Genesis and Prevention: CRC Press: Boca Raton, FL, 1990.
-
(1987)
Acta Pharm. Jugosl.
, vol.37
, pp. 7-36
-
-
Balaban, A.T.1
Niculescu-Duvaz, I.2
Simon, Z.3
-
58
-
-
0009961970
-
-
CRC Press: Boca Raton, FL
-
Balaban, A. T.; Motoc, I.; Bonchev, D.; Mekenyan, O. Topological Indices for Structure-Activity Correlations. In Steric Effects in Drug Design; Charton, M., Motoc, I., Eds.; Top. Curr. Chem. 1983, 114, 21-55. Balaban, A. T.; Niculescu-Duvaz, I.;. Simon, Z. Topological Aspects in QSAR for Biologically-Active Molecules. Acta Pharm. Jugosl. 1987, 37, 7-36. Voiculetz, N.; Balaban, A. T. NiculescuDuvaz, I.; Simon, Z. Modeling of Cancer Genesis and Prevention: CRC Press: Boca Raton, FL, 1990.
-
(1990)
Modeling of Cancer Genesis and Prevention
-
-
Voiculetz, N.1
Balaban, A.T.2
Niculescuduvaz, I.3
Simon, Z.4
-
59
-
-
0001434240
-
Characterization of the Molecular Similarity of Chemicals Using Topological Indices
-
R. Carbo-Dorca, P. G. Mezey, Eds.; JAI Press: Stanford, CT
-
Basak, S. C.; Gute, B. D.; Grunwald, G. D. Characterization of the Molecular Similarity of Chemicals Using Topological Indices. In Advances in Molecular Similarity, Vol. 2; R. Carbo-Dorca, P. G. Mezey, Eds.; JAI Press: Stanford, CT, 1998; pp 171-185.
-
(1998)
Advances in Molecular Similarity
, vol.2
, pp. 171-185
-
-
Basak, S.C.1
Gute, B.D.2
Grunwald, G.D.3
-
60
-
-
0024034894
-
Molecular Modelling of the Physical Properties of Alkanes
-
Needham, D. E.; Wei, I. C.; Seybold, P. G. Molecular Modelling 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
-
61
-
-
84987111091
-
Chemical Graph Theory: Modelling the Thermodynamic Properties of Molecules
-
Mekenyan, O.; Bonchev, D.; Trinajstić, N. Chemical Graph Theory: Modelling the Thermodynamic Properties of Molecules. Int. J. Quantum Chem. 1980, 18, 369-380. Karcher, W. Spectral Atlas of Polycyclic Aromatic Hydrocarbons; Kluwer Academic Press: Dordrecht, 1988; Vol. 2. pp 16-19.
-
(1980)
Int. J. Quantum Chem.
, vol.18
, pp. 369-380
-
-
Mekenyan, O.1
Bonchev, D.2
Trinajstić, N.3
-
62
-
-
84987111091
-
-
Kluwer Academic Press: Dordrecht
-
Mekenyan, O.; Bonchev, D.; Trinajstić, N. Chemical Graph Theory: Modelling the Thermodynamic Properties of Molecules. Int. J. Quantum Chem. 1980, 18, 369-380. Karcher, W. Spectral Atlas of Polycyclic Aromatic Hydrocarbons; Kluwer Academic Press: Dordrecht, 1988; Vol. 2. pp 16-19.
-
(1988)
Spectral Atlas of Polycyclic Aromatic Hydrocarbons
, vol.2
, pp. 16-19
-
-
Karcher, W.1
-
64
-
-
0003154753
-
Neighborhood Complexities and Symmetry of Chemical Graphs and Their Biological Applications
-
Zurich; Avula, X. J. R., Kalman, R. E., Liapis, A. I., Rodin, E. Y., Eds.; Pergamon Press: New York
-
Roy, A. B.; Basak, S. C.; Harriss, D. K.; Magnuson, V. R. Neighborhood Complexities and Symmetry of Chemical Graphs and Their Biological Applications. In Mathematical Modelling in Science and Technology; 4th International Conference, Zurich; Avula, X. J. R., Kalman, R. E., Liapis, A. I., Rodin, E. Y., Eds.; Pergamon Press: New York; 1983; pp 745-750.
-
(1983)
Mathematical Modelling in Science and Technology; 4th International Conference
, pp. 745-750
-
-
Roy, A.B.1
Basak, S.C.2
Harriss, D.K.3
Magnuson, V.R.4
-
65
-
-
0023202542
-
Use of Molecular Complexity Indices in Predictive Pharmacology and Toxicology: A QSAR Approach
-
Basak, S. C. Use of Molecular Complexity Indices in Predictive Pharmacology and Toxicology: A QSAR Approach. Med. Sci. Res. 1987, 15, 605-609. Ray, S. K.; Basak, S. C.; Raychaudhury, C.; Roy, A. B.; Ghosh, J. J. A Quantitative Structure Activity Relationship Study of Tumor Inhibitory Triazenes Using Bonding Information Content and Lipophilicity. ICRS Med. Sci. 1982, 10, 933-934. Basak, S. C.; Magnuson, V. R. Molecular Topology and Narcosis. A Quantitative Structure-Activity Relationship (QSAR) Study of Alcohols Using Complementary Information Content (CIC). Arzneimitt.-Forsch. Drug Res. 1983, 53, 501-503.
-
(1987)
Med. Sci. Res.
, vol.15
, pp. 605-609
-
-
Basak, S.C.1
-
66
-
-
0020361008
-
A Quantitative Structure Activity Relationship Study of Tumor Inhibitory Triazenes Using Bonding Information Content and Lipophilicity
-
Basak, S. C. Use of Molecular Complexity Indices in Predictive Pharmacology and Toxicology: A QSAR Approach. Med. Sci. Res. 1987, 15, 605-609. Ray, S. K.; Basak, S. C.; Raychaudhury, C.; Roy, A. B.; Ghosh, J. J. A Quantitative Structure Activity Relationship Study of Tumor Inhibitory Triazenes Using Bonding Information Content and Lipophilicity. ICRS Med. Sci. 1982, 10, 933-934. Basak, S. C.; Magnuson, V. R. Molecular Topology and Narcosis. A Quantitative Structure-Activity Relationship (QSAR) Study of Alcohols Using Complementary Information Content (CIC). Arzneimitt.-Forsch. Drug Res. 1983, 53, 501-503.
-
(1982)
ICRS Med. Sci.
, vol.10
, pp. 933-934
-
-
Ray, S.K.1
Basak, S.C.2
Raychaudhury, C.3
Roy, A.B.4
Ghosh, J.J.5
-
67
-
-
0020681980
-
Molecular Topology and Narcosis. a Quantitative Structure-Activity Relationship (QSAR) Study of Alcohols Using Complementary Information Content (CIC)
-
Basak, S. C. Use of Molecular Complexity Indices in Predictive Pharmacology and Toxicology: A QSAR Approach. Med. Sci. Res. 1987, 15, 605-609. Ray, S. K.; Basak, S. C.; Raychaudhury, C.; Roy, A. B.; Ghosh, J. J. A Quantitative Structure Activity Relationship Study of Tumor Inhibitory Triazenes Using Bonding Information Content and Lipophilicity. ICRS Med. Sci. 1982, 10, 933-934. Basak, S. C.; Magnuson, V. R. Molecular Topology and Narcosis. A Quantitative Structure-Activity Relationship (QSAR) Study of Alcohols Using Complementary Information Content (CIC). Arzneimitt.-Forsch. Drug Res. 1983, 53, 501-503.
-
(1983)
Arzneimitt.-Forsch. Drug Res.
, vol.53
, pp. 501-503
-
-
Basak, S.C.1
Magnuson, V.R.2
-
68
-
-
0023981806
-
Determining Structural Similarity of Chemicals Using Graph-Theoretic Indices
-
Basak, S. C.; Magnuson, V. R. Niemi, G. J.; Regal, R. R. Determining Structural Similarity of Chemicals Using Graph-Theoretic Indices. Discr. Appl Math. 1988, 19, 17-44.
-
(1988)
Discr. Appl Math.
, vol.19
, pp. 17-44
-
-
Basak, S.C.1
Magnuson, V.R.2
Niemi, G.J.3
Regal, R.R.4
-
69
-
-
0000888432
-
Characterization of Isospectral Graphs Using Graph Invariants and Derived Orthogonal Parameters
-
Balasubramanian, K.; Basak, S. C. Characterization of Isospectral Graphs Using Graph Invariants and Derived Orthogonal Parameters. J. Chem. Inf. Comput. Sci. 1998, 38, 367-373.
-
(1998)
J. Chem. Inf. Comput. Sci.
, vol.38
, pp. 367-373
-
-
Balasubramanian, K.1
Basak, S.C.2
-
70
-
-
0011957967
-
Use of Topological Space and Property Space in Selecting Structural Analogs
-
in press
-
(a) Basak, S. C.; Grunwald, G. D. Use of Topological Space and Property Space in Selecting Structural Analogs. Math. Modell. Sci. Comput., in press.
-
Math. Modell. Sci. Comput.
-
-
Basak, S.C.1
Grunwald, G.D.2
-
71
-
-
0012047113
-
Development and Applications of Molecular Similarity Methods Using Nonempirical Parameters
-
in press
-
(b) Basak, S. C.; Gute, B. D.; Grunwald, G. D. Development and Applications of Molecular Similarity Methods Using Nonempirical Parameters. Math. Modell. Sci. Comput., in press.
-
Math. Modell. Sci. Comput.
-
-
Basak, S.C.1
Gute, B.D.2
Grunwald, G.D.3
-
72
-
-
0011931749
-
Quantitative Comparison of Five Molecular Structure Spaces in Selecting Analogs of Chemicals
-
in press
-
(c) Basak, S. C.; Gute, B. D.; Grunwald, G. D. Quantitative Comparison of Five Molecular Structure Spaces in Selecting Analogs of Chemicals. Math. Modell. Sci. Comput., in press.
-
Math. Modell. Sci. Comput.
-
-
Basak, S.C.1
Gute, B.D.2
Grunwald, G.D.3
-
73
-
-
84988058305
-
Discrimination of Isomeric Structures Using Information Theoretic Indices
-
Raychaudhury, C.; Ray, S. K.; Roy, A. B.; Ghosh, J. J.; Basak, S. C. Discrimination of Isomeric Structures Using Information Theoretic Indices. J. Comput. Chem. 1984, 5, 581-588.
-
(1984)
J. Comput. Chem.
, vol.5
, pp. 581-588
-
-
Raychaudhury, C.1
Ray, S.K.2
Roy, A.B.3
Ghosh, J.J.4
Basak, S.C.5
-
75
-
-
0004425240
-
The VARCLUS Procedure
-
SAS Institute Inc.: Cary, NC
-
SAS Institute Inc. The VARCLUS Procedure. In SAS/STAT User's Guide, Version 6, fourth ed.; SAS Institute Inc.: Cary, NC, 1989; Vol. 2, 846 pp.
-
(1989)
SAS/STAT User's Guide, Version 6, Fourth Ed.
, vol.2
, pp. 846
-
-
-
76
-
-
0026623163
-
The Chemical Meaning of Topological Indices
-
Todeschini, R.; Cazar, R.; Collina, E. The Chemical Meaning of Topological Indices. Chemometrics Intell Lab. Syst. 1992, 15, 51-59.
-
(1992)
Chemometrics Intell Lab. Syst.
, vol.15
, pp. 51-59
-
-
Todeschini, R.1
Cazar, R.2
Collina, E.3
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