-
1
-
-
0038230543
-
-
Wiley-VCH: Weinheim
-
Pliska, V., Testa, B., van de Waterbeemd, H., Eds. Lipophilicity in Drug Research; Wiley-VCH: Weinheim, 1996.
-
(1996)
Lipophilicity in Drug Research
-
-
Pliska, V.1
Testa, B.2
Van de Waterbeemd, H.3
-
2
-
-
0003800267
-
-
Wiley-VCH: Weinheim
-
Testa, B., van de Waterbeemd, H., Folkers, G., Guy, R., Eds. Pharmacokinetic Optimization in Drug Research; Wiley-VCH: Weinheim, 2001.
-
(2001)
Pharmacokinetic Optimization in Drug Research
-
-
Testa, B.1
Van de Waterbeemd, H.2
Folkers, G.3
Guy, R.4
-
3
-
-
0037555123
-
-
ACD/LogP Advanced Chemistry Development Inc., 133 Richmond Street West, Suite 605, Toronto, Ontario, Canada M5H 2L3
-
ACD/LogP Advanced Chemistry Development Inc., 133 Richmond Street West, Suite 605, Toronto, Ontario, Canada M5H 2L3.
-
-
-
-
4
-
-
0037893091
-
-
CLOGP Biobyte Corp., West 4th St., Suite 204, Claremont, CA 91711
-
CLOGP Biobyte Corp., West 4th St., Suite 204, Claremont, CA 91711.
-
-
-
-
5
-
-
0038230540
-
-
KOWWIN Syracuse Research Corp., 6225 Running Ridge Road, North Syracuse, NY 13212
-
KOWWIN Syracuse Research Corp., 6225 Running Ridge Road, North Syracuse, NY 13212.
-
-
-
-
6
-
-
0038569316
-
-
ProLOGP Compu Drug International, Inc., 705 Grandview Drive, South San Francisco, CA 94080
-
ProLOGP Compu Drug International, Inc., 705 Grandview Drive, South San Francisco, CA 94080.
-
-
-
-
7
-
-
0018441511
-
Conformation, Partition, and Drug Design
-
Davies, R. H.; Sheard, B.; Taylor, P. J. Conformation, Partition, and Drug Design. J. Pharm. Sci. 1979, 68, 396-397.
-
(1979)
J. Pharm. Sci.
, vol.68
, pp. 396-397
-
-
Davies, R.H.1
Sheard, B.2
Taylor, P.J.3
-
8
-
-
0037034425
-
Conformer-specific partition coefficient: Theory and determination
-
Noszál, B.; Kraszni, M. Conformer-Specific Partition Coefficient: Theory and Determination. J. Phys. Chem. B 2002, 106, 1066-1068.
-
(2002)
J. Phys. Chem. B
, vol.106
, pp. 1066-1068
-
-
Noszál, B.1
Kraszni, M.2
-
9
-
-
0002177810
-
NMR study of amino acids their derivatives dissociation constant of each rotational isomers of amino acids
-
Fujiwara, S.; Ishizuka, H.; Fudano, S. NMR Study of Amino Acids and Their Derivatives: Dissociation Constant of Each Rotational Isomers of Amino Acids., Chem. Lett. 1974, 1281-1284.
-
(1974)
Chem. Lett.
, pp. 1281-1284
-
-
Fujiwara, S.1
Ishizuka, H.2
Fudano, S.3
-
10
-
-
0000493437
-
Unified view of carbon-bound hydrogen exchange of H(2) in imidazoles and H(8) in purine nucleosides and their metal ion complexes
-
Noszál, B.; Scheller-Krattiger, V.; Martin, R. B. Unified View of Carbon-Bound Hydrogen Exchange of H(2) in Imidazoles and H(8) in Purine Nucleosides and Their Metal Ion Complexes J. Am. Chem. Soc. 1982, 104, 1078-1081.
-
(1982)
J. Am. Chem. Soc.
, vol.104
, pp. 1078-1081
-
-
Noszál, B.1
Scheller-Krattiger, V.2
Martin, R.B.3
-
11
-
-
0034212604
-
Population, acid-base, and redox properties of N-acetylcysteine conformers
-
Noszál, B.; Visky, D.; Kraszni, M. Population, Acid-Base, and Redox properties of N-Acetylcysteine Conformers. J. Med. Chem. 2000, 43, 2176-2182.
-
(2000)
J. Med. Chem.
, vol.43
, pp. 2176-2182
-
-
Noszál, B.1
Visky, D.2
Kraszni, M.3
-
12
-
-
0021049274
-
An extension of the f-fragment method for the calculation of hydrophobic constants (log P) of conformationally defined systems
-
Pleiss, M. A.; Grunewald, G. L. An Extension of the f-Fragment Method for the Calculation of Hydrophobic Constants (Log P) of Conformationally Defined Systems. J. Med. Chem. 1983, 26, 1760-1764.
-
(1983)
J. Med. Chem.
, vol.26
, pp. 1760-1764
-
-
Pleiss, M.A.1
Grunewald, G.L.2
-
13
-
-
0018607849
-
Hydrophobic fragmental constant - Extension to a 1000 data point set
-
Rekker, R. F.; de Kort, H. M. Hydrophobic Fragmental Constant - Extension to a 1000 Data Point Set. Eur. J. Med. Chem. 1979, 14, 479-488.
-
(1979)
Eur. J. Med. Chem.
, vol.14
, pp. 479-488
-
-
Rekker, R.F.1
De Kort, H.M.2
-
14
-
-
0016721416
-
Calculation of hydrophobic constant (log P) from π and f constants
-
Leo, A.; Jow, P. Y. C.; Silipo, C.; Hansch, C. Calculation of Hydrophobic Constant (Log P) from π and f Constants. J. Med. Chem. 1975, 18, 865-868.
-
(1975)
J. Med. Chem.
, vol.18
, pp. 865-868
-
-
Leo, A.1
Jow, P.Y.C.2
Silipo, C.3
Hansch, C.4
-
16
-
-
0017074415
-
Application of SCAP to drug design. 1. Prediction of octanol-water partition coefficients using solvent-dependent conformational analyses
-
Hopfinger, A. J.; Battershell, R. D. Application of SCAP to Drug Design. 1. Prediction of Octanol-Water Partition Coefficients Using Solvent-Dependent Conformational Analyses. J. Med. Chem. 1976, 19, 569-573.
-
(1976)
J. Med. Chem.
, vol.19
, pp. 569-573
-
-
Hopfinger, A.J.1
Battershell, R.D.2
-
17
-
-
0017693460
-
Effect of the solvent-dependent conformational system of hydroxyureas on predicted vs observed log P
-
Parker, G. R.; Lemke, T. L.; Moore, E. C. Effect of the Solvent-Dependent Conformational System of Hydroxyureas on Predicted vs Observed Log P. J. Med. Chem. 1977, 20, 1221-1225.
-
(1977)
J. Med. Chem.
, vol.20
, pp. 1221-1225
-
-
Parker, G.R.1
Lemke, T.L.2
Moore, E.C.3
-
18
-
-
0018144070
-
Correlation of log P with molecular connectivity in hydroxyureas: Influence of conformational system on log P
-
Parker, G. R. Correlation of Log P with Molecular Connectivity in Hydroxyureas: Influence of Conformational System on Log P. J. Pharm. Sci. 1978, 67, 513-516.
-
(1978)
J. Pharm. Sci.
, vol.67
, pp. 513-516
-
-
Parker, G.R.1
-
19
-
-
0001245162
-
Influence of stereochemical factors on the partition coefficient of diastereoisomers in a biphasic octan1-ol-water system
-
Tsai, R. S.; Carrupt, P. A.; Testa, B.; El Tayar, N.; Grunewald, G. L.; Casy, A. F. Influence of Stereochemical Factors on the Partition Coefficient of Diastereoisomers in a Biphasic Octan1-ol-Water System. J. Chem. Res. (S) 1993, 298-299; J. Chem. Res. (M) 1993, 1901-1920.
-
(1993)
J. Chem. Res. (S)
, pp. 298-299
-
-
Tsai, R.S.1
Carrupt, P.A.2
Testa, B.3
El Tayar, N.4
Grunewald, G.L.5
Casy, A.F.6
-
20
-
-
0037555122
-
-
Tsai, R. S.; Carrupt, P. A.; Testa, B.; El Tayar, N.; Grunewald, G. L.; Casy, A. F. Influence of Stereochemical Factors on the Partition Coefficient of Diastereoisomers in a Biphasic Octan1-ol-Water System. J. Chem. Res. (S) 1993, 298-299; J. Chem. Res. (M) 1993, 1901-1920.
-
(1993)
J. Chem. Res. (M)
, pp. 1901-1920
-
-
-
21
-
-
0028411658
-
Molecular lipophilicity potential, a tool in 3D QSAR: Method and applications
-
Gaillard, P.; Carrupt, P. A.; Testa, B.; Boudon, A. Molecular Lipophilicity Potential, a Tool in 3D QSAR: Method and Applications. J. Comput.-Aided Mol. Des. 1994, 8, 83-96.
-
(1994)
J. Comput.-Aided Mol. Des.
, vol.8
, pp. 83-96
-
-
Gaillard, P.1
Carrupt, P.A.2
Testa, B.3
Boudon, A.4
-
22
-
-
0029881811
-
Lipophilicity in molecular modeling
-
Testa, B.; Carrupt, P. A.; Gaillard, P.; Billois, F.; Weber, P. Lipophilicity in Molecular Modeling. Pharm. Res. 1996, 13, 335-343.
-
(1996)
Pharm. Res.
, vol.13
, pp. 335-343
-
-
Testa, B.1
Carrupt, P.A.2
Gaillard, P.3
Billois, F.4
Weber, P.5
-
23
-
-
0028293252
-
The conformation-dependent lipophilicity of morphine glucuronides as calculated from their molecular lipophilicity potential
-
Gaillard, P.; Carrupt, P. A.; Testa, B. The Conformation-dependent Lipophilicity of Morphine Glucuronides as Calculated from their Molecular Lipophilicity Potential. Bioorg. Med. Chem. Lett. 1994, 4, 737-742.
-
(1994)
Bioorg. Med. Chem. Lett.
, vol.4
, pp. 737-742
-
-
Gaillard, P.1
Carrupt, P.A.2
Testa, B.3
-
24
-
-
0029012158
-
X-ray crystal-structure, partitioning behaviour, and molecular modeling study of piracetam-type nootropics - Insight into the pharmacophore
-
Carrupt, P. A.; Gaillard, P.; Testa, B. X-ray Crystal-Structure, Partitioning Behaviour, and Molecular Modeling Study of Piracetam-Type Nootropics - Insight into the Pharmacophore. J. Med. Chem. 1995, 38, 170-179.
-
(1995)
J. Med. Chem.
, vol.38
, pp. 170-179
-
-
Carrupt, P.A.1
Gaillard, P.2
Testa, B.3
-
25
-
-
0032952955
-
What differentiates free amino acids and aminoacyl residues? An exploration of conformational and lipophilicity spaces
-
Testa, B.; Reynaud, I.; Kier, L. B. What Differentiates Free Amino Acids and Aminoacyl Residues? An Exploration of Conformational and Lipophilicity Spaces. Helv. Chim. Acta 1999, 82, 657-665.
-
(1999)
Helv. Chim. Acta
, vol.82
, pp. 657-665
-
-
Testa, B.1
Reynaud, I.2
Kier, L.B.3
-
26
-
-
0025826820
-
Morphine 6-glucuronide and morphine 3-glucuronide as molecular cameleons with unexpected lipophilicity
-
Carrupt, P. A.; Testa, B.; Bechalany, A.; El-Tayar, N.; Descas, P.; Perrissoud, D. Morphine 6-Glucuronide and Morphine 3-Glucuronide as Molecular Cameleons with Unexpected Lipophilicity. J. Med. Chem. 1991, 34, 1272-1275.
-
(1991)
J. Med. Chem.
, vol.34
, pp. 1272-1275
-
-
Carrupt, P.A.1
Testa, B.2
Bechalany, A.3
El-Tayar, N.4
Descas, P.5
Perrissoud, D.6
-
27
-
-
0000681977
-
Choice of nuclear magnetic-resonance vicinal H-1-H-1 and vicinal carboxylate C-13-H-1 coupling-constant parameters for estimating conformations in amino-acids
-
Martin, R. B. Choice of Nuclear Magnetic-Resonance Vicinal H-1-H-1 and Vicinal Carboxylate C-13-H-1 Coupling-Constant Parameters for Estimating Conformations in Amino-Acids. J. Phys. Chem. 1979, 83, 2404-2407.
-
(1979)
J. Phys. Chem.
, vol.83
, pp. 2404-2407
-
-
Martin, R.B.1
-
28
-
-
33745356391
-
Contact electron-spin coupling of nuclear magnetic moments
-
Karplus, M. Contact Electron-Spin Coupling of Nuclear Magnetic Moments. J. Chem. Phys. 1959, 30, 11-15.
-
(1959)
J. Chem. Phys.
, vol.30
, pp. 11-15
-
-
Karplus, M.1
-
29
-
-
84989036214
-
Empirical group electronegativities for vicinal NMR proton-proton couplings along a C-C bond: Solvent effects and reparametrization of the Haasnoot equation
-
Altona, C.; Francke, R.; de Haan, R.; Ippel, J. H.; Daalmans, G. J.; Hoekzema, A. J. A. W.; van Wijk, J. Empirical Group Electronegativities for Vicinal NMR Proton-Proton Couplings Along a C-C Bond: Solvent Effects and Reparametrization of the Haasnoot Equation. Magn. Reson. Chem. 1994, 32, 670-678.
-
(1994)
Magn. Reson. Chem.
, vol.32
, pp. 670-678
-
-
Altona, C.1
Francke, R.2
De Haan, R.3
Ippel, J.H.4
Daalmans, G.J.5
Hoekzema, A.J.A.W.6
Van Wijk, J.7
-
30
-
-
0029585123
-
Atom fragment contribution method for estimating octanol-water partition coefficients
-
Meylan, W. M., Howard, P. H. Atom Fragment Contribution Method for Estimating Octanol-Water Partition Coefficients. J. Pharm. Sci. 1995, 84, 83-92.
-
(1995)
J. Pharm. Sci.
, vol.84
, pp. 83-92
-
-
Meylan, W.M.1
Howard, P.H.2
-
31
-
-
0001512518
-
A new method for water suppression in the proton NMR-spectra of aqueous solutions
-
Hore, P. J. A New Method for Water Suppression in the Proton NMR-Spectra of Aqueous Solutions. J. Magn. Reson. 1983, 54, 539-542.
-
(1983)
J. Magn. Reson.
, vol.54
, pp. 539-542
-
-
Hore, P.J.1
-
32
-
-
48749149745
-
Solvent suppression in fourier transform nuclear magnetic-resonance
-
Hore, P. J. Solvent Suppression in Fourier Transform Nuclear Magnetic-Resonance. J. Magn. Reson. 1983, 55, 283-300.
-
(1983)
J. Magn. Reson.
, vol.55
, pp. 283-300
-
-
Hore, P.J.1
-
33
-
-
0024842736
-
Principle of method selection in partition studies
-
Hersey, A.; Hill, A. P.; Hyde, R. M.; Livingstone, D. J. Principle of Method Selection in Partition Studies. QSAR 1989, 8, 288-296.
-
(1989)
QSAR
, vol.8
, pp. 288-296
-
-
Hersey, A.1
Hill, A.P.2
Hyde, R.M.3
Livingstone, D.J.4
-
34
-
-
0025074597
-
An interlaboratory evaluation of the Stir-Flask method for the determination of octanol-water partition-coefficients (log POW)
-
Brooke, D.; Nielsen, I.; Debruijn, J.; Hermens, J. An Interlaboratory Evaluation of the Stir-Flask Method for the Determination of Octanol-Water Partition-Coefficients (Log POW) Chemosphere 1990, 21, 119-133.
-
(1990)
Chemosphere
, vol.21
, pp. 119-133
-
-
Brooke, D.1
Nielsen, I.2
Debruijn, J.3
Hermens, J.4
-
35
-
-
0032739435
-
Practical and efficient chlorination of deactivated anilines and anilides with NCS in 2-propanol
-
Zanka, A.; Kubota, A. Practical and efficient chlorination of deactivated anilines and anilides with NCS in 2-propanol. Synlett 1999, 1984-1986.
-
(1999)
Synlett
, pp. 1984-1986
-
-
Zanka, A.1
Kubota, A.2
-
36
-
-
0036232226
-
A newly developed synthesis of 1,3,5-trichlorobenzene (sym. TCB) from aniline
-
Mehilal; Salunke R. B.; Agrawal, J. P. A newly developed synthesis of 1,3,5-trichlorobenzene (sym. TCB) from aniline. Indian J. Chem. B 2002, 41, 604-607.
-
(2002)
Indian J. Chem. B
, vol.41
, pp. 604-607
-
-
Mehilal1
Salunke, R.B.2
Agrawal, J.P.3
|