Molecular lipophilicity potential by CLIP, a reliable tool for the description of the 3D distribution of lipophilicity: application to 3-phenyloxazolidin-2-one, a prototype series of reversible MAOA inhibitors.
暂无分享,去创建一个
S Collin | F Durant | J. Wouters | F. Ooms | F. Durant | S. Collin | P George | S. Jegham | P. George | J Wouters | F Ooms | S Jegham
[1] Patrick Gaillard,et al. Molecular Lipophilicity Potential, a tool in 3D QSAR: Method and applications , 1994, J. Comput. Aided Mol. Des..
[2] R. Mannhold,et al. Calculation Procedures for Molecular Lipophilicity: a Comparative Study† , 1996 .
[3] B. Testa,et al. Lipophilicity measurements of protonated basic compounds by reversed-phase high-performance liquid chromatography : II. Procedure for the determination of a lipophilic index measured by reversed-phase high-performance liquid chromatography , 1985 .
[4] Ki Hwan Kim,et al. Calculation of hydrophobic parameters directly from three-dimensional structures using comparative molecular field analysis , 1995, J. Comput. Aided Mol. Des..
[5] A. Leo,et al. Partition coefficients and their uses , 1971 .
[6] Jean-Pierre Dubost,et al. Une nouvelle approche des relations structure-activité: le «potentiel de lipophilie moléculaire» , 1986 .
[7] A. Ghose,et al. Atomic Physicochemical Parameters for Three‐Dimensional Structure‐Directed Quantitative Structure‐Activity Relationships I. Partition Coefficients as a Measure of Hydrophobicity , 1986 .
[8] P. Broto,et al. Molecular structures: perception, autocorrelation descriptor and sar studies: system of atomic contributions for the calculation of the n-octanol/water partition coefficients , 1984 .
[9] P. Carrupt,et al. Inhibition of monoamine oxidase-B by 5H-indeno[1,2-c]pyridazines: biological activities, quantitative structure-activity relationships (QSARs) and 3D-QSARs. , 1995, Journal of medicinal chemistry.
[10] Qishi Du,et al. Modeling lipophilicity from the distribution of electrostatic potential on a molecular surface , 1996, J. Comput. Aided Mol. Des..
[11] P. Furet,et al. 3D molecular lipophilicity potential profiles: a new tool in molecular modeling , 1988 .
[12] B. Testa,et al. Lipophilicity measurements of protonated basic compounds by reversed-phase high-performance liquid chromatography : I. Relationship between capacity factors and the methanol concentration in methanol-water eluents , 1985 .
[13] O. Curet,et al. Selective and potent monoamine oxidase type B inhibitors: 2-substituted 5-aryltetrazole derivatives. , 1995, Journal of Medicinal Chemistry.
[14] J. Fauchère,et al. Estimating and representing hydrophobicity potential , 1988 .
[15] Patrick Gaillard,et al. The conformation-dependent lipophilicity of morphine glucuronides as calculated from their molecular lipophilicity potential , 1994 .
[16] Ming-Jing Hwang,et al. Derivation of class II force fields. I. Methodology and quantum force field for the alkyl functional group and alkane molecules , 1994, J. Comput. Chem..
[17] A. Leo. CALCULATING LOG POCT FROM STRUCTURES , 1993 .