-
1
-
-
0031904714
-
Computer-Assisted Rational Design of Immunosuppressive Compounds
-
Grassy, G.; Calas, B.; Yasri, A.; Lahana, R.; Woo, J.; Iyer, S.; Kaczorek, M.; Floc'h, R.; Buelow, R. Computer-Assisted Rational Design of Immunosuppressive Compounds. Nat. Biotechnol. 1998, 16, 748-752.
-
(1998)
Nat. Biotechnol.
, vol.16
, pp. 748-752
-
-
Grassy, G.1
Calas, B.2
Yasri, A.3
Lahana, R.4
Woo, J.5
Iyer, S.6
Kaczorek, M.7
Floc'h, R.8
Buelow, R.9
-
2
-
-
0002528750
-
A Nonempirical Approach to Predicting Molecular Properties Using Graph-Theoretic Invariants
-
W. Karcher, W., Devillers, J., Eds.; Kluwer Academic Publishers: Dordrecht/Boston/London
-
Basak, S. C. A Nonempirical Approach to Predicting Molecular Properties Using Graph-Theoretic Invariants. In Practical Applications of Quantitative Structure - Activity Relationships (QSAR) in Environmental Chemistry and Toxicology; W. Karcher, W., Devillers, J., Eds.; Kluwer Academic Publishers: Dordrecht/Boston/London, 1990; pp 83-103.
-
(1990)
Practical Applications of Quantitative Structure - Activity Relationships (QSAR) in Environmental Chemistry and Toxicology
, pp. 83-103
-
-
Basak, S.C.1
-
3
-
-
0028321225
-
Molecular Similarity and Risk Assessment: Analog Selection and Property Estimation Using Graph Invariants
-
Basak, S. C.; Grunwald, G. D. Molecular Similarity and Risk Assessment: Analog Selection and Property Estimation Using Graph Invariants. SAR QSAR Environ. Res. 1994, 2, 289-307.
-
(1994)
SAR QSAR Environ. Res.
, vol.2
, pp. 289-307
-
-
Basak, S.C.1
Grunwald, G.D.2
-
4
-
-
0001302541
-
Molecular Similarity and Estimation of Molecular Properties
-
Basak, S. C.; Grunwald, G. D. Molecular Similarity and Estimation of Molecular Properties. J. Chem. Inf. Comput. Sci. 1995, 35, 366-372.
-
(1995)
J. Chem. Inf. Comput. Sci.
, vol.35
, pp. 366-372
-
-
Basak, S.C.1
Grunwald, G.D.2
-
5
-
-
0029088410
-
Predicting Mutagenicity of Chemicals Using Topological and Quantum Chemical Parameters: A Similarity Based Study
-
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
-
6
-
-
0002128719
-
Use of Graph-Theoretic Parameters in Predicting Inhibition of Microsomal p-Hydroxylation of Aniline by Alcohols: A Molecular Similarity Approach
-
Johnson, B. L., Xintaras, C., Andrews, J. S., Jr., Eds.; Princeton Scientific Publishing Co., Inc.; Princeton, NJ
-
Basak, S. C.; Gute, B. D. Use of Graph-Theoretic Parameters in Predicting Inhibition of Microsomal p-Hydroxylation of Aniline by Alcohols: A Molecular Similarity Approach. In Hazardous Waste: Impacts on Human and Ecological Health; Johnson, B. L., Xintaras, C., Andrews, J. S., Jr., Eds.; Princeton Scientific Publishing Co., Inc.; Princeton, NJ, 1997; pp 492-504.
-
(1997)
Hazardous Waste: Impacts on Human and Ecological Health
, pp. 492-504
-
-
Basak, S.C.1
Gute, B.D.2
-
7
-
-
0002423928
-
Use of Graph Invariants in QMSA and Predictive Toxicology
-
DIMACS Series 51; Hansen, P., Fowler, P., Zheng, M., Eds.; American Mathematical Society: Providence, RI
-
Basak, S. C.; Gute, B. D. Use of Graph Invariants in QMSA and Predictive Toxicology. In Discrete Mathematical Chemistry; DIMACS Series 51; Hansen, P., Fowler, P., Zheng, M., Eds.; American Mathematical Society: Providence, RI, 2000; pp 9-24.
-
(2000)
Discrete Mathematical Chemistry
, pp. 9-24
-
-
Basak, S.C.1
Gute, B.D.2
-
8
-
-
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.
-
(1987)
Med. Sci. Res.
, vol.15
, pp. 605-609
-
-
Basak, S.C.1
-
9
-
-
0002291769
-
Use of Graph Theoretical and Geometrical Molecular Descriptors in Structure - Activity Relationships
-
Balaban, A. T., Ed.; Plenum Press: New York, Chapter 4
-
Basak, S. C.; Grunwald, G. D.; Niemi, G. J. Use of Graph Theoretical and Geometrical Molecular Descriptors in Structure - Activity Relationships. In From Chemical Topology to Three-dimensional Geometry; Balaban, A. T., Ed.; Plenum Press: New York, 1997; Chapter 4, pp 73-116.
-
(1997)
From Chemical Topology to Three-dimensional Geometry
, pp. 73-116
-
-
Basak, S.C.1
Grunwald, G.D.2
Niemi, G.J.3
-
11
-
-
0002905234
-
Structurally Diverse Quantitative Structure - Property Relationship Correlations of Technologically Relevant Physical Properties
-
Katritzky, A. R.; Maran, U.; Lobanov, V. S.; Karelson, M. Structurally Diverse Quantitative Structure - Property Relationship Correlations of Technologically Relevant Physical Properties. J. Chem. Inf. Comput. Sci. 2000, 40, 1-8.
-
(2000)
J. Chem. Inf. Comput. Sci.
, vol.40
, pp. 1-8
-
-
Katritzky, A.R.1
Maran, U.2
Lobanov, V.S.3
Karelson, M.4
-
12
-
-
0003320464
-
The Interpretation of Quantitative Structure - Property and - Activity Relationships
-
in preparation
-
Katritzky, A. R.; Petrukhin, R.; Tatham, D.; Basak, S. C.; Benfenati, E.; Karelson, M.; Maran, U. The Interpretation of Quantitative Structure - Property and - Activity Relationships. J. Chem. Inf. Comput Sci. 2000, in preparation.
-
(2000)
J. Chem. Inf. Comput Sci.
-
-
Katritzky, A.R.1
Petrukhin, R.2
Tatham, D.3
Basak, S.C.4
Benfenati, E.5
Karelson, M.6
Maran, U.7
-
13
-
-
0001636459
-
QSPR Treatment of Solvent Scales
-
Katritzky, A. R.; Tamm, T.; Wang, Y,: Sild, S.; Karelson, M. QSPR Treatment of Solvent Scales. J. Chem. Inf. Comput. Sci. 1999, 39, 684-691.
-
(1999)
J. Chem. Inf. Comput. Sci.
, vol.39
, pp. 684-691
-
-
Katritzky, A.R.1
Tamm, T.2
Wang, Y.3
Sild, S.4
Karelson, M.5
-
14
-
-
45949126191
-
Topological Indices: Their Nature, Mutual Relatedness, and Applications
-
Basak, S. C.; Magnuson, V. R.; Niemi, G. J.; Regal, R. R.; Veith, G. D. Topological Indices: Their Nature, Mutual Relatedness, and Applications. Math. Model. 1987, 8, 300-305.
-
(1987)
Math. Model.
, vol.8
, pp. 300-305
-
-
Basak, S.C.1
Magnuson, V.R.2
Niemi, G.J.3
Regal, R.R.4
Veith, G.D.5
-
15
-
-
0023981806
-
Determining Structural Similarity of Chemicals Using Graph-Theoretic Indices
-
Kennedy, J. W., Quintas, L. V., Eds.; Elsevier Science Publishers BV, North-Holland: New York
-
Basak, S. C.; Magnuson, V. R.; Niemi, G. J.; Regal, R. R. Determining Structural Similarity of Chemicals Using Graph-Theoretic Indices. Discrete Appl. Math. Special volume: Applications of Graph Theory in Chemistry and Physics; Kennedy, J. W., Quintas, L. V., Eds.; Elsevier Science Publishers BV, North-Holland: New York, 1988; Vol. 19, pp 17-44.
-
(1988)
Discrete Appl. Math. Special Volume: Applications of Graph Theory in Chemistry and Physics
, vol.19
, pp. 17-44
-
-
Basak, S.C.1
Magnuson, V.R.2
Niemi, G.J.3
Regal, R.R.4
-
16
-
-
0000969438
-
Predicting Properties of Molecules Using Graph Invariants
-
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
-
17
-
-
0001302541
-
Molecular Similarity and Estimation of Molecular Properties
-
Basak, S. C.; Grunwald, G. D. Molecular Similarity and Estimation of Molecular Properties. J. Chem. Inf. Comput. Sci. 1995, 35, 366-372.
-
(1995)
J. Chem. Inf. Comput. Sci.
, vol.35
, pp. 366-372
-
-
Basak, S.C.1
Grunwald, G.D.2
-
18
-
-
0000247432
-
A Characterization of Molecular Similarity Methods for Property Prediction
-
Johnson, M.; Basak, S. C.; Maggiora, G. A Characterization of Molecular Similarity Methods for Property Prediction. Math. Comput. Model. 1988, 11, 630-634.
-
(1988)
Math. Comput. Model.
, vol.11
, pp. 630-634
-
-
Johnson, M.1
Basak, S.C.2
Maggiora, G.3
-
19
-
-
0031904573
-
QSAR Models for Discriminating between Mutagenic and Nonmutagenic Aromatic and Heteroaromatic Amines
-
Benigni, R.; Passerini, L.; Gallo, G.; Giorgi, F.; Cotta-Ramusino, M. QSAR Models for Discriminating Between Mutagenic and Nonmutagenic Aromatic and Heteroaromatic Amines. Environ. Mol. Mutagen. 1998, 32, 75-83.
-
(1998)
Environ. Mol. Mutagen.
, vol.32
, pp. 75-83
-
-
Benigni, R.1
Passerini, L.2
Gallo, G.3
Giorgi, F.4
Cotta-Ramusino, M.5
-
20
-
-
0029439554
-
Tolerance Space and Molecular Similarity
-
Basak, S. C.; Grunwald, G. D. Tolerance Space and Molecular Similarity. SAR QSAR Environ. Res. 1995, 3, 265-277.
-
(1995)
SAR QSAR Environ. Res.
, vol.3
, pp. 265-277
-
-
Basak, S.C.1
Grunwald, G.D.2
-
21
-
-
0026516590
-
A QSAR Investigation of the Role of Hydrophobicity in Regulating Muagenicity in the Ames Test: 1. Mutagenicity of Aromatic and Heteroaromatic Amines in Salmonella typhimurium TA98 and TA100
-
Debnath, A. K.; Debnath, G.; Shusterman, A. J.; Hansch, C. A QSAR Investigation of the Role of Hydrophobicity in Regulating Muagenicity in the Ames Test: 1. Mutagenicity of Aromatic and Heteroaromatic Amines in Salmonella typhimurium TA98 and TA100. Environ. Mol. Mutagen. 1992, 19, 37-52.
-
(1992)
Environ. Mol. Mutagen.
, vol.19
, pp. 37-52
-
-
Debnath, A.K.1
Debnath, G.2
Shusterman, A.J.3
Hansch, C.4
-
22
-
-
0002280485
-
Relative Effectiveness of Topological, Geometrical, and Quantum Chemical Parameters in Estimating Mutagenicity of Chemicals
-
Chen, F., Schuurmann, G., Eds; SETAC Press: Pensacola, FL, Chapter 17
-
Basak, S. C.; Gute, B. D.; Grunwald, G. D. Relative Effectiveness of Topological, Geometrical, and Quantum Chemical Parameters in Estimating Mutagenicity of Chemicals. In Quantitative Structure - Activity Relationships in Environmental Sciences VII; Chen, F., Schuurmann, G., Eds; SETAC Press: Pensacola, FL, 1998; Chapter 17, pp 245-261.
-
(1998)
Quantitative Structure - Activity Relationships in Environmental Sciences VII
, pp. 245-261
-
-
Basak, S.C.1
Gute, B.D.2
Grunwald, G.D.3
-
23
-
-
0033043476
-
A Comprehensive QSAR Treatment of the Genotoxicity of Heteroaromatic and Aromatic Amines
-
Maran, U.; Karelson, M.; Katritzky, A. R. A Comprehensive QSAR Treatment of the Genotoxicity of Heteroaromatic and Aromatic Amines. Quant. Struct.-Act. Relat. 1999, 18, 3-10.
-
(1999)
Quant. Struct.-Act. Relat.
, vol.18
, pp. 3-10
-
-
Maran, U.1
Karelson, M.2
Katritzky, A.R.3
-
24
-
-
0011927998
-
Prediction of the Genotoxicity of Aromatic and Heteroaromatic Amines Using Electrotopological State Indices
-
submitted for publication
-
Cash, G. G. Prediction of the Genotoxicity of Aromatic and Heteroaromatic Amines Using Electrotopological State Indices. Mutat. Res. 2000, submitted for publication.
-
(2000)
Mutat. Res.
-
-
Cash, G.G.1
-
25
-
-
0001183474
-
Assessment of the Mutagenicity of Aromatic Amines from Theoretical Structural Parameters: A Hierarchical Approach
-
Basak, S. C.; Gute, B. D.; Grunwald, G. D. Assessment of the Mutagenicity of Aromatic Amines from Theoretical Structural Parameters: A Hierarchical Approach. SAR QSAR Environ. Res. 1999, 10, 117-129.
-
(1999)
SAR QSAR Environ. Res.
, vol.10
, pp. 117-129
-
-
Basak, S.C.1
Gute, B.D.2
Grunwald, G.D.3
-
26
-
-
0002650399
-
A Hierarchical Approach to the Development of QSAR Models Using Topological, Geometrical and Quantum Chemical Parameters
-
Devillers, J., Balaban, A. T., Eds.; Gordon and Breach Science Publishers: Amsterdam
-
Basak, S. C.; Gute, B. D.; Grunwald, G. D. A Hierarchical Approach to the Development of QSAR Models Using Topological, Geometrical and Quantum Chemical Parameters. In Topological Indices and Related Descriptors in QSAR and QSPR; Devillers, J., Balaban, A. T., Eds.; Gordon and Breach Science Publishers: Amsterdam, 1999; pp 675-696.
-
(1999)
Topological Indices and Related Descriptors in QSAR and QSPR
, pp. 675-696
-
-
Basak, S.C.1
Gute, B.D.2
Grunwald, G.D.3
-
27
-
-
0033093088
-
Prediction of Complement-Inhibitory Activity of Benzamidines Using Topological and Geometric Parameters
-
Basak, S. C.; Gute, B. D.; Ghatak, S. Prediction of Complement-Inhibitory Activity of Benzamidines Using Topological and Geometric Parameters. J. Chem. Inf. Comput. Sci. 1999, 39, 255-260.
-
(1999)
J. Chem. Inf. Comput. Sci.
, vol.39
, pp. 255-260
-
-
Basak, S.C.1
Gute, B.D.2
Ghatak, S.3
-
28
-
-
0000113278
-
Use of Topostructural, Topochemical and Geometric Parameters in the Prediction of Vapor Pressure: A Hierarchical QSAR Approach
-
Basak, S. C.; Gute, B. D.; Grunwald, G. D. Use of Topostructural, Topochemical and Geometric Parameters in the Prediction of Vapor Pressure: A Hierarchical QSAR Approach. J. Chem. Inf. Comput. Sci. 1997, 37, 651-655.
-
(1997)
J. Chem. Inf. Comput. Sci.
, vol.37
, pp. 651-655
-
-
Basak, S.C.1
Gute, B.D.2
Grunwald, G.D.3
-
29
-
-
0002524571
-
A Comparative Study of Topological and Geometrical Parameters in Estimating Normal Boiling Point and Octanol/Water Partition Coefficient
-
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
-
30
-
-
0002480134
-
Characterization of Molecular Structures Using Topological Indices
-
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
-
33
-
-
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
-
35
-
-
0343071989
-
Information Theory, Distance Matrix and Molecular Branching
-
Bonchev, D.; Trinajstić, N. Information Theory, Distance Matrix and Molecular Branching. J. Chem. Phys. 1977, 67, 4517-4533.
-
(1977)
J. Chem. Phys.
, vol.67
, pp. 4517-4533
-
-
Bonchev, D.1
Trinajstić, N.2
-
36
-
-
84988058305
-
Discrimination of Isomeric Structures Using Information Theoretic Topological Indices
-
Raychaudhury, C.; Ray, S. K.; Ghosh, J. J.; Roy, A. B.; Basak, S. C. Discrimination of Isomeric Structures Using Information Theoretic Topological Indices. J. Comput. Chem. 1984, 5, 581-588.
-
(1984)
J. Comput. Chem.
, vol.5
, pp. 581-588
-
-
Raychaudhury, C.1
Ray, S.K.2
Ghosh, J.J.3
Roy, A.B.4
Basak, S.C.5
-
37
-
-
0020681980
-
Molecular Topology and Narcosis - A Quantitative Structure - Activity Relationship (QSAR) Study of Alcohols Using Complementary Information Content (CIC)
-
Basak, S. C.; Magnuson, V. R. Molecular Topology and Narcosis - A Quantitative Structure - Activity Relationship (QSAR) Study of Alcohols Using Complementary Information Content (CIC). Arzneim. Forsch./Drug Res. 1983, 33, 501-503.
-
(1983)
Arzneim. Forsch./Drug Res.
, vol.33
, pp. 501-503
-
-
Basak, S.C.1
Magnuson, V.R.2
-
38
-
-
0003154753
-
Neighborhood Complexities and Symmetry of Chemical Graphs, and Their Biological Applications
-
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 Modeling in Science and Technology; Avula, X. J. R., Kalman, R. E., Liapis, A. I., Rodin, E. Y., Eds.; Pergamon Press: New York, 1984; pp 745-750.
-
(1984)
Mathematical Modeling in Science and Technology
, pp. 745-750
-
-
Roy, A.B.1
Basak, S.C.2
Harriss, D.K.3
Magnuson, V.R.4
-
39
-
-
0012097239
-
Study of the Structure - Function Relationship of Pharmacological and Toxicological Agents Using Information Theory
-
Avula, X. J. R., Bellman, R., Luke, Y. L., Rigler, A. K., Eds.; University of Missouri - Rolla: Rolla, MO
-
Basak, S. C.; Roy, A. B.; Gosh, J. J. Study of the Structure - Function Relationship of Pharmacological and Toxicological Agents Using Information Theory. In Proceedings of the Second International Conference on Mathematical Modeling; Avula, X. J. R., Bellman, R., Luke, Y. L., Rigler, A. K., Eds.; University of Missouri - Rolla: Rolla, MO, 1980; Vol.2.
-
(1980)
Proceedings of the Second International Conference on Mathematical Modeling
, vol.2
-
-
Basak, S.C.1
Roy, A.B.2
Gosh, J.J.3
-
40
-
-
9444296174
-
Highly Discriminating Distance-Based Topological Index
-
Balaban, A. T. Highly Discriminating Distance-Based Topological Index. Chem. Phys. Lett. 1982, 89, 399-404.
-
(1982)
Chem. Phys. Lett.
, vol.89
, pp. 399-404
-
-
Balaban, A.T.1
-
41
-
-
84961488478
-
Topological Indices Based on Topological Distances in Molecular Graphs
-
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
-
42
-
-
0000455350
-
Chemical graphs. Part 48. Topological index J for heteroatom-containing molecules taking into account periodicities of element properties
-
Balaban, A. T. Chemical graphs. Part 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
-
43
-
-
33847029884
-
A New Approach for Devising Local Graph Invariants: Derived Topological Indices with Low Degeneracy and Good Correlation 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 Correlation 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
-
44
-
-
0000226523
-
Topological Indices: Their Nature and Mutual Relatedness
-
Basak, S. C.; Balaban, A. T.; Grunwald, G. D.; Gute, B. D. Topological Indices: Their Nature and Mutual Relatedness. J. Chem. Inf. Comput. Sci. 2000, 40, 891-898.
-
(2000)
J. Chem. Inf. Comput. Sci.
, vol.40
, pp. 891-898
-
-
Basak, S.C.1
Balaban, A.T.2
Grunwald, G.D.3
Gute, B.D.4
-
45
-
-
0346328389
-
-
Tripos Associates, Inc., St. Louis, MO, 1994
-
Tripos Associates, Inc., St. Louis, MO, 1994.
-
-
-
-
46
-
-
0003845932
-
-
Frank J Seiler Research Laboratory, U.S. Air Force Academy: Boulder, CO
-
Stewart J. J. P. MOPAC Version 6.00. QCPE No. 455; Frank J Seiler Research Laboratory, U.S. Air Force Academy: Boulder, CO, 1990.
-
(1990)
MOPAC Version 6.00. QCPE No. 455
, vol.455
-
-
Stewart, J.J.P.1
-
47
-
-
0004282518
-
-
release 6.03 ed.; SAS Institute: Cary, NC
-
SAS/STAT User's Guide, release 6.03 ed.; SAS Institute: Cary, NC, 1988.
-
(1988)
SAS/STAT User's Guide
-
-
-
48
-
-
0018709674
-
Chance Factors in Studies of Quantitative Structure - Activity Relationships
-
Topliss, J. G.; Edwards, R. P. Chance Factors in Studies of Quantitative Structure - Activity Relationships. J. Med. Chem. 1979, 22, 1238-1244.
-
(1979)
J. Med. Chem.
, vol.22
, pp. 1238-1244
-
-
Topliss, J.G.1
Edwards, R.P.2
-
49
-
-
0001224789
-
Combinatorics of Small Molecular Structures
-
Schleyer, P. v. R., Allinger, N. L., Clark, T., Gasteiger, J., Kollman, P. A., Schaefer, H. F., III, Schreiner, P. R., Eds.; Wiley: Chichester, U.K.
-
Weininger, D. Combinatorics of Small Molecular Structures. In Encyclopedia of Computational Chemistry; Schleyer, P. v. R., Allinger, N. L., Clark, T., Gasteiger, J., Kollman, P. A., Schaefer, H. F., III, Schreiner, P. R., Eds.; Wiley: Chichester, U.K., 1998; pp 425-430.
-
(1998)
Encyclopedia of Computational Chemistry
, pp. 425-430
-
-
Weininger, D.1
-
50
-
-
0002336415
-
High-throughput "Virtual" Chemistry
-
Schleyer, P. v. R., Allinger, N. L., Clark, T., Gasteiger, J., Kollman, P. A., Schaefer, H. F., III, Schreiner, P. R., Eds.; Wiley: Chichester, U.K.
-
Walters, W. P.; Stahl, M. T.; Murcko, M. A. High-throughput "Virtual" Chemistry. In Encyclopedia of Computational Chemistry; Schleyer, P. v. R., Allinger, N. L., Clark, T., Gasteiger, J., Kollman, P. A., Schaefer, H. F., III, Schreiner, P. R., Eds.; Wiley: Chichester, U.K., 1998; pp 1225-1237.
-
(1998)
Encyclopedia of Computational Chemistry
, pp. 1225-1237
-
-
Walters, W.P.1
Stahl, M.T.2
Murcko, M.A.3
-
51
-
-
0001626393
-
Quantitative Structure - Property Relationships for the Prediction of Vapor Pressures of Organic Compounds from Molecular Structures
-
McClelland, H. E.; Jurs, P. C. Quantitative Structure - Property Relationships for the Prediction of Vapor Pressures of Organic Compounds from Molecular Structures. J. Chem. Inf. Comput. Sci. 2000, 40, 967-975.
-
(2000)
J. Chem. Inf. Comput. Sci.
, vol.40
, pp. 967-975
-
-
McClelland, H.E.1
Jurs, P.C.2
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