Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
暂无分享,去创建一个
[1] A. Bangham,et al. Diffusion of Small Non-Electrolytes across Liposome Membranes , 1972, Nature.
[2] L. Appelgren. Transport of Small Molecules , 1976 .
[3] S. Yalkowsky,et al. Solubility and partitioning I: Solubility of nonelectrolytes in water. , 1980, Journal of pharmaceutical sciences.
[4] P. Newberne,et al. Working Group IV: lipids and the immune system. Report and recommendations. , 1981, Cancer research.
[5] P. Andrews,et al. Functional group contributions to drug-receptor interactions. , 1984, Journal of medicinal chemistry.
[6] The molecular properties governing solubilities of organic nonelectrolytes in water , 1985, Nature.
[7] M. Abraham,et al. The use of characteristic volumes to measure cavity terms in reversed phase liquid chromatography , 1987 .
[8] S. H. Yalkowsky. Estimation of the Aqueous Solubility of Organic Compounds , 1988 .
[9] C. Reichardt. Solvents and Solvent Effects in Organic Chemistry , 1988 .
[10] S. Yalkowsky,et al. Estimation of aqueous solubility and melting point of PCB congeners , 1990 .
[11] J. Murray,et al. Correlations between the solvent hydrogen-bond-donating parameter .alpha. and the calculated molecular surface electrostatic potential , 1991 .
[12] S. Ranganathan,et al. Correlations between the solvent hydrogen bond acceptor parameter β and the calculated molecular electrostatic potential , 1991 .
[13] Takahiro Suzuki,et al. Development of an automatic estimation system for both the partition coefficient and aqueous solubility , 1991, J. Comput. Aided Mol. Des..
[14] Nicholas Bodor,et al. Neural network studies. 1. Estimation of the aqueous solubility of organic compounds , 1991 .
[15] George R. Famini,et al. Using theoretical descriptors in quantitative structure activity relationships: Some physicochemical properties , 1992 .
[16] Oleg A. Raevsky,et al. Complete Thermodynamic Description of H‐Bonding in the Framework of Multiplicative Approach , 1992 .
[17] N. Bodor,et al. A new method for the estimation of the aqueous solubility of organic compounds. , 1992, Journal of pharmaceutical sciences.
[18] S. Hirono,et al. Simple Method of Calculating Octanol/Water Partition Coefficient. , 1992 .
[19] Michael H. Abraham,et al. Hydrogen bonding. 31. Construction of a scale of solute effective or summation hydrogen‐bond basicity , 1993 .
[20] Samuel H. Yalkowsky,et al. Estimation of the aqueous solubility of complex organic compounds , 1993 .
[21] S. Yalkowsky,et al. Molecular Symmetry and Related Properties , 1993 .
[22] Grant D. Green,et al. Chapter 33. Recent Advances in the Generation of Molecular Diversity , 1993 .
[23] Peter Politzer,et al. Octanol/water partition coefficients expressed in terms of solute molecular surface areas and electrostatic potentials , 1993 .
[24] Michael H. Abraham,et al. Scales of solute hydrogen-bonding: their construction and application to physicochemical and biochemical processes , 2010 .
[25] A. Leo. CALCULATING LOG POCT FROM STRUCTURES , 1993 .
[26] A. Gavezzotti,et al. Are Crystal Structures Predictable , 1994 .
[27] Peter C. Jurs,et al. Prediction of Aqueous Solubility of Organic Compounds , 1994, J. Chem. Inf. Comput. Sci..
[28] George R. Famini,et al. Analysis of Solute/Solvent Interactions for the Acidity of Acetic Acids by Theoretical Descriptors , 1994 .
[29] N. Bodor,et al. Neural network studies: Part 3. Prediction of partition coefficients , 1994 .
[30] Harpreet S. Chadha,et al. Hydrogen bonding. 32. An analysis of water-octanol and water-alkane partitioning and the delta log P parameter of seiler. , 1994, Journal of pharmaceutical sciences.
[31] Thomas J. Vidmar,et al. A non-aqueous partitioning system for predicting the oral absorption potential of peptides , 1994 .
[32] Harpreet S. Chadha,et al. Hydrogen bonding. 33. Factors that influence the distribution of solutes between blood and brain. , 1994, Journal of pharmaceutical sciences.
[33] P. Ruelle,et al. Prediction of carbazole solubility and its dependence upon the solvent nature , 1994 .
[34] S. Hirono,et al. Comparison of Reliability of log P Values for Drugs Calculated by Several Methods , 1994 .
[35] Rudy M. Baum. Combinatorial Approaches Provide Fresh Leads for Medicinal Chemistry , 1994 .
[36] W. Pardridge. Transport of small molecules through the blood-brain barrier: biology and methodology. , 1995, Advanced drug delivery reviews.
[37] Albert J. Leo,et al. Critique of Recent Comparison of log P Calciulation Methods , 1995 .
[38] K. Hillgren,et al. In vitro systems for studying intestinal drug absorption , 1995, Medicinal research reviews.
[39] Oleg A. Raevsky,et al. H-BOND CONTRIBUTION TO OCTANOL-WATER PARTITION COEFFICIENTS OF POLAR COMPOUNDS , 1995 .
[40] H. Kubinyi. Strategies and recent technologies in drug discovery. , 1995, Die Pharmazie.
[41] Hsinchun Chen,et al. Using Backpropagation Networks for the Estimation of Aqueous Activity Coefficients of Aromatic Organic Compounds , 1995, J. Chem. Inf. Comput. Sci..
[42] Samuel H. Yalkowsky,et al. AQUAFAC 3: aqueous functional group activity coefficients; application to the estimation of aqueous solubility , 1995 .
[43] Dinesh V. Patel,et al. Applications of small-molecule combinatorial chemistry to drug discovery , 1996 .
[44] Pravin Chaturvedi,et al. Design principles for orally bioavailable drugs , 1996 .