-
2
-
-
0034299554
-
A Review of QSAR for Dye Affinity for Cellulose Fibres
-
Timofei, S.; Schmidt, W.; Kurunczi, L.; Simon, Z. A Review of QSAR for Dye Affinity for Cellulose Fibres. Dyes Pigm. 2000, 47, 5-16.
-
(2000)
Dyes Pigm.
, vol.47
, pp. 5-16
-
-
Timofei, S.1
Schmidt, W.2
Kurunczi, L.3
Simon, Z.4
-
3
-
-
0001193185
-
-
Wiley: New York
-
French, A. D.; Battista, O. A.; Cuculo, J. A.; Gray, D. G. In Kirk-Othmer Encyclopedia of Chemical Technology, 4th ed.; Wiley: New York, 1993; Vol. 5, p 476.
-
(1993)
Kirk-Othmer Encyclopedia of Chemical Technology, 4th Ed.
, vol.5
, pp. 476
-
-
French, A.D.1
Battista, O.A.2
Cuculo, J.A.3
Gray, D.G.4
-
4
-
-
0027987550
-
A QSAR Study of the Adsorption by Cellulose Fibre of Anthraquinone Vat Dyes
-
Timofei, S.; Schmidt, W.; Kurunczi, L.; Simmon, Z.; Sallo, A. A QSAR Study of the Adsorption by Cellulose Fibre of Anthraquinone Vat Dyes. Dyes Pigm. 1994, 24, 267-279.
-
(1994)
Dyes Pigm.
, vol.24
, pp. 267-279
-
-
Timofei, S.1
Schmidt, W.2
Kurunczi, L.3
Simmon, Z.4
Sallo, A.5
-
5
-
-
0029563512
-
Structure-Affinity Binding Relationships by Principal Component Regresion Analysis of Anthraquinone Dyes
-
Timofei, S.; Kurunczi, L.; Schmidt, W.; Fabian, W. M. F.; Simon, Z. Structure-Affinity Binding Relationships by Principal Component Regresion Analysis of Anthraquinone Dyes. Quant. Struct. Act. Relat. 1995, 14, 444-449.
-
(1995)
Quant. Struct. Act. Relat.
, vol.14
, pp. 444-449
-
-
Timofei, S.1
Kurunczi, L.2
Schmidt, W.3
Fabian, W.M.F.4
Simon, Z.5
-
6
-
-
0000835950
-
Structure-Affinity Binding Relationships of Some 4-Aminobenzene Derivatives for Cellulose Fibre
-
Timofei, S.; Kurunczi, L.; Schmidt, W.; Simon, Z. Structure-Affinity Binding Relationships of Some 4-Aminobenzene Derivatives for Cellulose Fibre. Dyes Pigm. 1995, 29, 251-258.
-
(1995)
Dyes Pigm.
, vol.29
, pp. 251-258
-
-
Timofei, S.1
Kurunczi, L.2
Schmidt, W.3
Simon, Z.4
-
7
-
-
0030245090
-
Lipophilicity in Dye-Cellulose Fibre Binding
-
Timofei, S.; Kurunczi, L.; Schmidt, W.; Simon, Z. Lipophilicity in Dye-Cellulose Fibre Binding. Dyes Pigm. 1996, 32, 25-42.
-
(1996)
Dyes Pigm.
, vol.32
, pp. 25-42
-
-
Timofei, S.1
Kurunczi, L.2
Schmidt, W.3
Simon, Z.4
-
8
-
-
58149211190
-
Comparative Molecular Field Analysis (CoMFA), Semiempirical (AM1) Molecular Orbital and Multiconformational Minimal Steric Difference (MTD) Calculation of Anthraquinone Dye-Fibre Affinities
-
Fabian, W. M. F.; Timofei, S.; Kurunczi, L. Comparative Molecular Field Analysis (CoMFA), Semiempirical (AM1) Molecular Orbital and Multiconformational Minimal Steric Difference (MTD) Calculation of Anthraquinone Dye-Fibre Affinities. J. Mol. Struct. THEOCHEM 1995, 340, 73-81.
-
(1995)
J. Mol. Struct. THEOCHEM
, vol.340
, pp. 73-81
-
-
Fabian, W.M.F.1
Timofei, S.2
Kurunczi, L.3
-
9
-
-
0001679247
-
Comparative Molecular Field Analysis (CoMFA) of Dye-Fibre Affinities II: Symmetrical Bisazo Dyes
-
Fabian, W. M. F.; Timofei, S. Comparative Molecular Field Analysis (CoMFA) of Dye-Fibre Affinities II: Symmetrical Bisazo Dyes. J. Mol. Struct. THEOCHEM. 1996, 362, 155-162.
-
(1996)
J. Mol. Struct. THEOCHEM.
, vol.362
, pp. 155-162
-
-
Fabian, W.M.F.1
Timofei, S.2
-
10
-
-
0030735887
-
QSAR Studies of Disperse Azo Dyes. Towards the Negation of the Pharmacophore Theory of Dye - Fibre Interaction?
-
Oprea, T. I.; Kurunczi, L.; Timofei, S. QSAR Studies of Disperse Azo Dyes. Towards the Negation of the Pharmacophore Theory of Dye - Fibre Interaction? Dyes Pigm. 1997, 33, 44-64.
-
(1997)
Dyes Pigm.
, vol.33
, pp. 44-64
-
-
Oprea, T.I.1
Kurunczi, L.2
Timofei, S.3
-
11
-
-
0036662507
-
Comparative Molecular Field Analysis (CoMFA) of Anionic Azo Dye-Fiber Affinities I: Gas-Phase Molecular Orbital Descriptors
-
Funar-Timofei, S.; Schrüümann, G. Comparative Molecular Field Analysis (CoMFA) of Anionic Azo Dye-Fiber Affinities I: Gas-Phase Molecular Orbital Descriptors. J. Chem. Inf. Comput. Sci. 2002, 42, 788-795.
-
(2002)
J. Chem. Inf. Comput. Sci.
, vol.42
, pp. 788-795
-
-
Funar-Timofei, S.1
Schrüümann, G.2
-
12
-
-
0032202561
-
Comparative Molecular Field Analysis (CoMFA) of Heterocyclic Monoazo Dye-Fibre Affinities
-
Timofei, S.; Fabian, W. M. F. Comparative Molecular Field Analysis (CoMFA) of Heterocyclic Monoazo Dye-Fibre Affinities. J. Chem. Inf. Comput. Sci. 1998, 38, 1218-1222.
-
(1998)
J. Chem. Inf. Comput. Sci.
, vol.38
, pp. 1218-1222
-
-
Timofei, S.1
Fabian, W.M.F.2
-
13
-
-
0030771347
-
QSAR and 3D QSAR in Drug Design. Part 1: Methodology
-
Kubinyi, H. QSAR and 3D QSAR in Drug Design. Part 1: Methodology. Drug Discovery Today 1997, 2, 457-467.
-
(1997)
Drug Discovery Today
, vol.2
, pp. 457-467
-
-
Kubinyi, H.1
-
14
-
-
0030828787
-
QSAR and 3D QSAR in Drug Design. Part 2: Applications and Problems
-
Kubinyi, H. QSAR and 3D QSAR in Drug Design. Part 2: Applications and Problems. Drug Discovery Today 1997, 2, 538-546.
-
(1997)
Drug Discovery Today
, vol.2
, pp. 538-546
-
-
Kubinyi, H.1
-
15
-
-
0002370147
-
QSAR: Hansch Analysis and Related approaches
-
Mannhold, R., Krokgsgaard- Larsen, P., Timmerman, H., Eds.; VCH: Weinheim
-
Kubinyi, H. QSAR: Hansch Analysis and Related approaches. In Methods and Principles in Medicinal Chemistry; Mannhold, R., Krokgsgaard- Larsen, P., Timmerman, H., Eds.; VCH: Weinheim, 1993.
-
(1993)
Methods and Principles in Medicinal Chemistry
-
-
Kubinyi, H.1
-
16
-
-
0002905234
-
Structurally Diverse Quantitative Structure -Property Relationship Correlations of Technologically Relevant Physical Properties
-
Katrizky, 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, 1-18.
-
(2000)
J. Chem. Inf. Comput. Sci.
, vol.40
, pp. 1-18
-
-
Katrizky, A.R.1
Maran, U.2
Lobanov, V.S.3
Karelson, M.4
-
17
-
-
0002129103
-
The Mapping of the Molecular Surfaces by Means of Selforganizing Neural Networks within MATLAB 5.2 for WINDOWS-95
-
Polanski, J. The Mapping of the Molecular Surfaces by Means of Selforganizing Neural Networks within MATLAB 5.2 for WINDOWS-95. Acta Pol. Pharm. 1999, 56, 80-84.
-
(1999)
Acta Pol. Pharm.
, vol.56
, pp. 80-84
-
-
Polanski, J.1
-
18
-
-
0033623964
-
The Comparative Molecular Surface Analysis (CoMSA): A Novel Tool for Molecular Design
-
Polanski, J.; Walczak, B. The Comparative Molecular Surface Analysis (CoMSA): A Novel Tool for Molecular Design. Comput. Chem. 2000, 24, 615-625.
-
(2000)
Comput. Chem.
, vol.24
, pp. 615-625
-
-
Polanski, J.1
Walczak, B.2
-
20
-
-
0037362091
-
The Comparative Molecular Surface Analysis (CoMSA) with Modified Uninformative Variable Elimination-PLS (UVE-PLS) Method: Application to the Steroids Binding the Aromatase Enzymol
-
Polanski, J.; Gieleciak, R. The Comparative Molecular Surface Analysis (CoMSA) with Modified Uninformative Variable Elimination-PLS (UVE-PLS) Method: Application to the Steroids Binding the Aromatase Enzymol. J. Chem. Inf. Comput. Sci. 2003, 43, 656-666.
-
(2003)
J. Chem. Inf. Comput. Sci.
, vol.43
, pp. 656-666
-
-
Polanski, J.1
Gieleciak, R.2
-
21
-
-
0034868592
-
What is Bioinformatics? A Proposed Definition and Overview of the Field
-
Gerstein, M.; Greenbaum, D.; Luscombe, M. N. What is Bioinformatics? A Proposed Definition and Overview of the Field. Method Inform. Med. 2001, 40, 346-358.
-
(2001)
Method Inform. Med.
, vol.40
, pp. 346-358
-
-
Gerstein, M.1
Greenbaum, D.2
Luscombe, M.N.3
-
22
-
-
0034714421
-
Gene Expression Data Analysis
-
Brazma, A.; Vilo, J. Gene Expression Data Analysis. FEES Lett. 2000, 480, 17-24.
-
(2000)
FEES Lett.
, vol.480
, pp. 17-24
-
-
Brazma, A.1
Vilo, J.2
-
23
-
-
0042863923
-
Analysis of Gene Expression Data Using Self-Organizing Maps
-
Toronen, P.; Kolehmainen, M.; Wong, G.; Castren, E. Analysis of Gene Expression Data Using Self-Organizing Maps. FEES Lett. 1999, 451, 142-146.
-
(1999)
FEES Lett.
, vol.451
, pp. 142-146
-
-
Toronen, P.1
Kolehmainen, M.2
Wong, G.3
Castren, E.4
-
24
-
-
1542424391
-
The Use of Self-Organizing Neural Networks in Drug Design
-
10
-
Anzali, S.; Gasteiger, J.; Holzgrabe, U.; Polanski, J.; Teckentrup, A.; Wagener M. The Use of Self-Organizing Neural Networks in Drug Design. Perspect. Drug Discov. Design 1998, 9/10/11, 273-299.
-
(1998)
Perspect. Drug Discov. Design
, vol.9-11
, pp. 273-299
-
-
Anzali, S.1
Gasteiger, J.2
Holzgrabe, U.3
Polanski, J.4
Teckentrup, A.5
Wagener, M.6
-
26
-
-
0000583538
-
The Representation of Molecular Electrostatic Potentials by Topological Feature Maps
-
Gasteiger, J.; Li, X.; Rudolph, Ch.; Sadowski J.; Zupan, J. The Representation of Molecular Electrostatic Potentials by Topological Feature Maps. J. Am. Chem. Soc. 1994, 116, 4608-4620.
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 4608-4620
-
-
Gasteiger, J.1
Li, X.2
Rudolph, Ch.3
Sadowski, J.4
Zupan, J.5
-
27
-
-
0031138166
-
The Receptor-Like Neural Network for Modeling Corticosteroid and Testosterone Binding Globulins
-
Polanski, J. The Receptor-Like Neural Network for Modeling Corticosteroid and Testosterone Binding Globulins. J. Chem. Inf. Comput. Sci. 1997, 37, 478-484.
-
(1997)
J. Chem. Inf. Comput. Sci.
, vol.37
, pp. 478-484
-
-
Polanski, J.1
-
28
-
-
0030339936
-
The Comparison of Geometric and Electronic Properties of Molecular Surfaces by Neural Networks: Application to the Analysis of Corticosteroid Globulin Activity of Steroids
-
Anzali, S.; Barnickel, G.; Krug, M.; Sadowski, J.; Wagener, M.; Gasteiger, J.; Polanski, J. The Comparison of Geometric and Electronic Properties of Molecular Surfaces by Neural Networks: Application to the Analysis of Corticosteroid Globulin Activity of Steroids. J. Comput.-Aided Mol. Design 1996, 10, 521-540.
-
(1996)
J. Comput.-aided Mol. Design
, vol.10
, pp. 521-540
-
-
Anzali, S.1
Barnickel, G.2
Krug, M.3
Sadowski, J.4
Wagener, M.5
Gasteiger, J.6
Polanski, J.7
-
29
-
-
0034520869
-
Self-Organizing Neural Networks for Screening and Development of Novel Artificial Sweetener Candidates
-
Polanski, J.; Gasteiger, J.; Jarzembek, K. Self-Organizing Neural Networks for Screening and Development of Novel Artificial Sweetener Candidates. Combin. Chem. High Throughput Screen. 2000, 3, 481-495.
-
(2000)
Combin. Chem. High Throughput Screen
, vol.3
, pp. 481-495
-
-
Polanski, J.1
Gasteiger, J.2
Jarzembek, K.3
-
30
-
-
0036827270
-
New molecular surface-based 3D-QSAR method using Kohonen neural network and 3-Way PLS
-
Hasegawa, K.; Matsuoka, S.; Arakawa, M.; Funatsu, K. New molecular surface-based 3D-QSAR method using Kohonen neural network and 3-Way PLS. Comput. Chem. 2002, 26, 583-589.
-
(2002)
Comput. Chem.
, vol.26
, pp. 583-589
-
-
Hasegawa, K.1
Matsuoka, S.2
Arakawa, M.3
Funatsu, K.4
-
32
-
-
0000490166
-
From Atoms and Bonds to Three-Dimensional Atomic Coordinates: Automatic Model Builders
-
Sadowski, J.; Gasteiger, J. From Atoms and Bonds to Three-Dimensional Atomic Coordinates: Automatic Model Builders. Chem. Rev. 1993, 93, 2567-2581.
-
(1993)
Chem. Rev.
, vol.93
, pp. 2567-2581
-
-
Sadowski, J.1
Gasteiger, J.2
-
33
-
-
0028466540
-
Comparison of Automatic Three-Dimensional Model Builders Using 639 X-ray Structures
-
Sadowski, J.; Gasteiger, J.; Klebe, G. Comparison of Automatic Three-Dimensional Model Builders Using 639 X-ray Structures. J. Chem. Inf. Comput. Sci. 1994, 34, 1000-1008.
-
(1994)
J. Chem. Inf. Comput. Sci.
, vol.34
, pp. 1000-1008
-
-
Sadowski, J.1
Gasteiger, J.2
Klebe, G.3
-
34
-
-
0001244198
-
Calculation of the Charge Distribution in Conjugated Systems by a Quantification of the Resonance Concept
-
Gastaiger, J.; Saller, H. Calculation of the Charge Distribution in Conjugated Systems by a Quantification of the Resonance Concept. Angew. Chem. 1985, 97, 699-701.
-
(1985)
Angew. Chem.
, vol.97
, pp. 699-701
-
-
Gastaiger, J.1
Saller, H.2
-
35
-
-
49149147973
-
Iterative Partial Equalization of Orbital Electronegativity - A Rapid Access to Atomic Charges
-
Gasteiger, J.; Marsili, M. Iterative Partial Equalization of Orbital Electronegativity - a Rapid Access to Atomic Charges. Tetrahedron 1980, 36, 3219-3228.
-
(1980)
Tetrahedron
, vol.36
, pp. 3219-3228
-
-
Gasteiger, J.1
Marsili, M.2
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