-
1
-
-
0005910987
-
The correlation of biological activity of plant growth regulators and chloromycetin deviates with Hammett constants and partition coefficients
-
Hansch, C.; Muir, R.; Fujita, T.; Peyton, P.; Maloney, P. et al. The correlation of biological activity of plant growth regulators and chloromycetin deviates with Hammett constants and partition coefficients. J. Am. Chem. Soc. 1963, 85, 2817-2824.
-
(1963)
J. Am. Chem. Soc.
, vol.85
, pp. 2817-2824
-
-
Hansch, C.1
Muir, R.2
Fujita, T.3
Peyton, P.4
Maloney, P.5
-
2
-
-
0032242330
-
Quantitative structure-activity relationship study of iodinated analogues of trimetoquinol as highly potent beta 2-adrenoceptor ligands
-
Kumar, R.; Singh, P. Quantitative structure-activity relationship study of iodinated analogues of trimetoquinol as highly potent beta 2-adrenoceptor ligands. Indian J. Biochem. Biophys. 1998, 35, 390-392.
-
(1998)
Indian J. Biochem. Biophys.
, vol.35
, pp. 390-392
-
-
Kumar, R.1
Singh, P.2
-
3
-
-
0344230147
-
Cholecystokinin B antagonists. Synthesis and quantitative structure-activity relationships of a series of C-terminal analogues of CI-988
-
Augelli-Szafran, C. E.; Horwell, D. C.; Kneen, C.; Ortwine, D. F.; Pritchard, M. C. et al. Cholecystokinin B antagonists. Synthesis and quantitative structure-activity relationships of a series of C-terminal analogues of CI-988. Bioorg. Med. Chem. 1996, 4, 1733-1745.
-
(1996)
Bioorg. Med. Chem.
, vol.4
, pp. 1733-1745
-
-
Augelli-Szafran, C.E.1
Horwell, D.C.2
Kneen, C.3
Ortwine, D.F.4
Pritchard, M.C.5
-
4
-
-
0031085412
-
QSAR based on multiple linear regression and PLS methods for the anti-HIV activity of a large group of HEPT derivatives
-
Luco, J. M.; Ferretti, F. H. QSAR based on multiple linear regression and PLS methods for the anti-HIV activity of a large group of HEPT derivatives. J. Chem. Inf. Comput Sci. 1997, 37, 392-401.
-
(1997)
J. Chem. Inf. Comput Sci.
, vol.37
, pp. 392-401
-
-
Luco, J.M.1
Ferretti, F.H.2
-
5
-
-
0026879166
-
Quantitative structure-activity relationship studies on benzodiazepine receptor binding: Recognition of active sites in receptor and modelling of interaction
-
Gupta, S. P.; Saha, R. N.; Mulchandani, V. Quantitative structure-activity relationship studies on benzodiazepine receptor binding: recognition of active sites in receptor and modelling of interaction. J. Mol. Recognit. 1992, 5, 75-80.
-
(1992)
J. Mol. Recognit.
, vol.5
, pp. 75-80
-
-
Gupta, S.P.1
Saha, R.N.2
Mulchandani, V.3
-
6
-
-
0025881352
-
Separation of electronic and hydrophobic effects for the papain hydrolysis of substituted N-benzoylglycine esters
-
Compadre, C. M.; Hansch, C.; Klein, T. E.; Petridou-Fischer, J.; Selassie, C. D. et al. Separation of electronic and hydrophobic effects for the papain hydrolysis of substituted N-benzoylglycine esters. Biochim. Biophys. Acta 1991, 1079, 43-52.
-
(1991)
Biochim. Biophys. Acta
, vol.1079
, pp. 43-52
-
-
Compadre, C.M.1
Hansch, C.2
Klein, T.E.3
Petridou-Fischer, J.4
Selassie, C.D.5
-
7
-
-
0003955925
-
-
American Chemical Society: Washington, DC
-
Hansch, C.; Leo, A. Exploring QSAR: Fundamentals and Applications in Chemistry and Biology; American Chemical Society: Washington, DC, 1995; 1-2, 11-14, 103-105.
-
(1995)
Exploring QSAR: Fundamentals and Applications in Chemistry and Biology
, pp. 1-2
-
-
Hansch, C.1
Leo, A.2
-
8
-
-
4243664295
-
A survey of Hammett substituent constants and resonance and field parameters
-
Hansch, C.; Leo, A.; Taft, R. W. A survey of Hammett substituent constants and resonance and field parameters. Chem. Rev. 1991, 91, 165-195.
-
(1991)
Chem. Rev.
, vol.91
, pp. 165-195
-
-
Hansch, C.1
Leo, A.2
Taft, R.W.3
-
9
-
-
0003452899
-
-
American Chemical Society: Washington, DC
-
Hansch, C.; Leo, A.; Hoekman, D. H. Exploring QSAR: Hydrophobic, Electronic, and Steric Constants; American Chemical Society: Washington, DC, 1995; pp 219-304.
-
(1995)
Exploring QSAR: Hydrophobic, Electronic, and Steric Constants
, pp. 219-304
-
-
Hansch, C.1
Leo, A.2
Hoekman, D.H.3
-
10
-
-
0000583005
-
QSAR treatment of electronic substituent effects using frontier orbital theory and topological parameters
-
Sullivan, J. J.; Jones, A. D.; Tanji, K. K. QSAR treatment of electronic substituent effects using frontier orbital theory and topological parameters. J. Chem. Inf. Comput. Sci. 2000, 40, 1113-1127.
-
(2000)
J. Chem. Inf. Comput. Sci.
, vol.40
, pp. 1113-1127
-
-
Sullivan, J.J.1
Jones, A.D.2
Tanji, K.K.3
-
11
-
-
0039890607
-
Neural network classification of inductive and resonance effects of substituents
-
Kvasnicka, V.; Sklenak, S.; Pospichal, J. Neural network classification of inductive and resonance effects of substituents. J. Am. Chem. Soc. 1993, 115, 1495-1500.
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 1495-1500
-
-
Kvasnicka, V.1
Sklenak, S.2
Pospichal, J.3
-
12
-
-
0037122708
-
Synthesis, biological evaluation, and quantitative structure-activity relationship analysis of new Schiff bases of hydroxysemicarbazide as potential antitumor agents
-
Ren, S.; Wang, R.; Komatsu, K.; Bonaz-Krause, P.; Zyrianov, Y. et al. Synthesis, biological evaluation, and quantitative structure-activity relationship analysis of new Schiff bases of hydroxysemicarbazide as potential antitumor agents. J. Med. Chem. 2002, 45, 410-419.
-
(2002)
J. Med. Chem.
, vol.45
, pp. 410-419
-
-
Ren, S.1
Wang, R.2
Komatsu, K.3
Bonaz-Krause, P.4
Zyrianov, Y.5
-
13
-
-
0001509942
-
Prediction of physiochemical parameters by atomic contributions
-
Wildman, S. A.; Crippen, G. M. Prediction of physiochemical parameters by atomic contributions. J. Chem. Inf. Comput. Sci. 1999, 39, 868-873.
-
(1999)
J. Chem. Inf. Comput. Sci.
, vol.39
, pp. 868-873
-
-
Wildman, S.A.1
Crippen, G.M.2
-
14
-
-
0034103896
-
The hydrophobic fragmental constant approach for calculating log P in octanol/water and aliphatic hydrocarbon/water systems
-
Mannhold, R.; Rekker, R. F. The hydrophobic fragmental constant approach for calculating log P in octanol/water and aliphatic hydrocarbon/water systems. Perspect. Drug. Discov. Design. 2000, 18, 1-18.
-
(2000)
Perspect. Drug. Discov. Design.
, vol.18
, pp. 1-18
-
-
Mannhold, R.1
Rekker, R.F.2
-
15
-
-
0035470269
-
Prediction of n-octanol/water partition coefficients from PHYSPROP database using artificial neural networks and E-state indices
-
Tetko, I. V.; Tanchuk, V. Y.; Villa, A. E. Prediction of n-octanol/water partition coefficients from PHYSPROP database using artificial neural networks and E-state indices. J. Chem. Inf. Comput. Sci. 2001, 41, 1407-1421.
-
(2001)
J. Chem. Inf. Comput. Sci.
, vol.41
, pp. 1407-1421
-
-
Tetko, I.V.1
Tanchuk, V.Y.2
Villa, A.E.3
-
16
-
-
0023289451
-
Atomic physicochemical parameters for three-dimensional-structure- directed quantitative structure-activity relationships. 2. Modeling dispersive and hydrophobic interactions
-
Ghose, A. K.; Crippen, G. M. Atomic physicochemical parameters for three-dimensional-structure-directed quantitative structure-activity relationships. 2. Modeling dispersive and hydrophobic interactions. J. Chem. Inf. Comput. Sci. 1987, 27, 21-35.
-
(1987)
J. Chem. Inf. Comput. Sci.
, vol.27
, pp. 21-35
-
-
Ghose, A.K.1
Crippen, G.M.2
-
17
-
-
0024716284
-
Atomic physicochemical parameters for three-dimensional structure directed quantitative structure-activity relationships. 4. Additional parameters for hydrophobic and dispersive interactions and their application for an automated superposition of certain naturally occurring nucleoside antibiotics
-
Viswanadhan, V. N.; Ghose, A. K.; Revankar, G. R.; Robins, R. K. Atomic physicochemical parameters for three-dimensional structure directed quantitative structure-activity relationships. 4. Additional parameters for hydrophobic and dispersive interactions and their application for an automated superposition of certain naturally occurring nucleoside antibiotics. J. Chem. Inf. Comput. Sci. 1989, 29, 163-172.
-
(1989)
J. Chem. Inf. Comput. Sci.
, vol.29
, pp. 163-172
-
-
Viswanadhan, V.N.1
Ghose, A.K.2
Revankar, G.R.3
Robins, R.K.4
-
18
-
-
0343986486
-
Simple linear QSAR models based on quantum similarity measures
-
Amat, L.; Carbo-Dorca, R.; Ponec, R. Simple linear QSAR models based on quantum similarity measures. J. Med. Chem. 1999, 42, 5169-5180.
-
(1999)
J. Med. Chem.
, vol.42
, pp. 5169-5180
-
-
Amat, L.1
Carbo-Dorca, R.2
Ponec, R.3
-
19
-
-
0030823498
-
Use of electron densities in comparative molecular field analysis (CoMFA): A quantitative structure activity relationship (QSAR) for electronic effects of groups
-
Vaz, R. J. Use of electron densities in comparative molecular field analysis (CoMFA): A quantitative structure activity relationship (QSAR) for electronic effects of groups. Quant. Struct-Act. Relat. 1997, 16, 303-308.
-
(1997)
Quant. Struct-act. Relat.
, vol.16
, pp. 303-308
-
-
Vaz, R.J.1
-
20
-
-
84990707573
-
Estimation of substituent group electronic influence from molecular connectivity delta values
-
Kier, L. B.; Hall, L. H. Estimation of substituent group electronic influence from molecular connectivity delta values. Quant. Struct-Act. Relat. 1983, 16, 163-167.
-
(1983)
Quant. Struct-act. Relat.
, vol.16
, pp. 163-167
-
-
Kier, L.B.1
Hall, L.H.2
-
21
-
-
0030670402
-
Simple quantum chemical parameters as an alternative to the Hammett sigma constants in QSAR studies
-
Ertl, P. Simple quantum chemical parameters as an alternative to the Hammett sigma constants in QSAR studies. Quant. Struct-Act. Relat. 1997, 16, 377-382.
-
(1997)
Quant. Struct-act. Relat.
, vol.16
, pp. 377-382
-
-
Ertl, P.1
-
22
-
-
0035526162
-
Estimation of aqueous solubility of chemical compounds using E-state indices
-
Tetko, I. V.; Tanchuk, V. Y.; Kasheva, T. N.; Villa, A. E. Estimation of aqueous solubility of chemical compounds using E-state indices. J. Chem. Inf. Comput. Sci. 2001, 41, 1488-1493.
-
(2001)
J. Chem. Inf. Comput. Sci.
, vol.41
, pp. 1488-1493
-
-
Tetko, I.V.1
Tanchuk, V.Y.2
Kasheva, T.N.3
Villa, A.E.4
-
23
-
-
0034833042
-
Estimation of water solubility from atom-type electrotopological state indices
-
Huuskonen, J. Estimation of water solubility from atom-type electrotopological state indices. Environ. Toxicol. Chem. 2001, 20, 491-497.
-
(2001)
Environ. Toxicol. Chem.
, vol.20
, pp. 491-497
-
-
Huuskonen, J.1
-
24
-
-
0001645890
-
Estimation of aqueous solubility for a diverse set of organic compounds based on molecular topology
-
Huuskonen, J. Estimation of aqueous solubility for a diverse set of organic compounds based on molecular topology. J. Chem. Inf. Comput. Sci. 2000, 40, 773-777.
-
(2000)
J. Chem. Inf. Comput. Sci.
, vol.40
, pp. 773-777
-
-
Huuskonen, J.1
-
25
-
-
0000691934
-
Neural network modeling for estimation of partition coefficient based on atom-type electrotopological state indices
-
Huuskonen, J. J.; Livingstone, D. J.; Tetko, I. I. Neural network modeling for estimation of partition coefficient based on atom-type electrotopological state indices. J. Chem. Inf. Comput. Sci. 2000, 40, 947-955.
-
(2000)
J. Chem. Inf. Comput. Sci.
, vol.40
, pp. 947-955
-
-
Huuskonen, J.J.1
Livingstone, D.J.2
Tetko, I.I.3
-
26
-
-
0000120618
-
The E-state as the basis for molecular structure space definition and structure similarity
-
Hall, L. H.; Kier, L. B. The E-state as the basis for molecular structure space definition and structure similarity. J. Chem. Inf. Comput. Sci. 2000, 40, 784-791.
-
(2000)
J. Chem. Inf. Comput. Sci.
, vol.40
, pp. 784-791
-
-
Hall, L.H.1
Kier, L.B.2
-
27
-
-
84862347903
-
-
www.daylight.com.
-
-
-
-
28
-
-
1542426115
-
Development of neural network QSPR nodels for Hansch substituent constants. 2. Applications in QSAR studies of HIV-1 reverse transcriptase and dihydrofolate reductase inhibitors
-
Chiu, T. L.; So, S. S. Development of neural network QSPR nodels for Hansch substituent constants. 2. Applications in QSAR studies of HIV-1 reverse transcriptase and dihydrofolate reductase inhibitors. J. Chem. Inf. Comput. Sci. 2004, 44, 154-160.
-
(2004)
J. Chem. Inf. Comput. Sci.
, vol.44
, pp. 154-160
-
-
Chiu, T.L.1
So, S.S.2
|