Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings.

[1]  Transport of Small Molecules , 2000 .

[2]  Pravin Chaturvedi,et al.  Design principles for orally bioavailable drugs , 1996 .

[3]  Dinesh V. Patel,et al.  Applications of small-molecule combinatorial chemistry to drug discovery , 1996 .

[4]  H. Kubinyi.  Strategies and recent technologies in drug discovery. , 1995, Die Pharmazie.

[5]  W. Pardridge.  Transport of small molecules through the blood-brain barrier: biology and methodology. , 1995, Advanced drug delivery reviews.

[6]  Hsinchun Chen,et al.  Using Backpropagation Networks for the Estimation of Aqueous Activity Coefficients of Aromatic Organic Compounds , 1995, J. Chem. Inf. Comput. Sci..

[7]  Samuel H. Yalkowsky,et al.  AQUAFAC 3: aqueous functional group activity coefficients; application to the estimation of aqueous solubility , 1995 .

[8]  Albert J. Leo,et al.  Critique of Recent Comparison of log P Calciulation Methods , 1995 .

[9]  K. Hillgren,et al.  In vitro systems for studying intestinal drug absorption , 1995, Medicinal research reviews.

[10]  George R. Famini,et al.  Analysis of Solute/Solvent Interactions for the Acidity of Acetic Acids by Theoretical Descriptors , 1994 .

[11]  A. Gavezzotti,et al.  Are Crystal Structures Predictable , 1994 .

[12]  Harpreet S. Chadha,et al.  Hydrogen bonding. 33. Factors that influence the distribution of solutes between blood and brain. , 1994, Journal of pharmaceutical sciences.

[13]  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.

[14]  Peter C. Jurs,et al.  Prediction of Aqueous Solubility of Organic Compounds , 1994, J. Chem. Inf. Comput. Sci..

[15]  S. Hirono,et al.  Comparison of Reliability of log P Values for Drugs Calculated by Several Methods , 1994 .

[16]  P. Ruelle,et al.  Prediction of carbazole solubility and its dependence upon the solvent nature , 1994 .

[17]  Rudy M. Baum.  Combinatorial Approaches Provide Fresh Leads for Medicinal Chemistry , 1994 .

[18]  Thomas J. Vidmar,et al.  A non-aqueous partitioning system for predicting the oral absorption potential of peptides , 1994 .

[19]  Michael H. Abraham,et al.  Scales of solute hydrogen-bonding: their construction and application to physicochemical and biochemical processes , 2010 .

[20]  S. Yalkowsky,et al.  Molecular Symmetry and Related Properties , 1993 .

[21]  Peter Politzer,et al.  Octanol/water partition coefficients expressed in terms of solute molecular surface areas and electrostatic potentials , 1993 .

[22]  Michael H. Abraham,et al.  Hydrogen bonding. 31. Construction of a scale of solute effective or summation hydrogen‐bond basicity , 1993 .

[23]  Grant D. Green,et al.  Chapter 33. Recent Advances in the Generation of Molecular Diversity , 1993 .

[24]  N. Bodor,et al.  A new method for the estimation of the aqueous solubility of organic compounds. , 1992, Journal of pharmaceutical sciences.

[25]  S. Hirono,et al.  Simple Method of Calculating Octanol/Water Partition Coefficient. , 1992 .

[26]  Nicholas Bodor,et al.  Neural network studies. 1. Estimation of the aqueous solubility of organic compounds , 1991 .

[27]  J. Murray,et al.  Correlations between the solvent hydrogen-bond-donating parameter .alpha. and the calculated molecular surface electrostatic potential , 1991 .

[28]  S. Ranganathan,et al.  Correlations between the solvent hydrogen bond acceptor parameter β and the calculated molecular electrostatic potential , 1991 .

[29]  Takahiro Suzuki,et al.  Development of an automatic estimation system for both the partition coefficient and aqueous solubility , 1991, J. Comput. Aided Mol. Des..

[30]  S. Yalkowsky,et al.  Estimation of aqueous solubility and melting point of PCB congeners , 1990 .

[31]  G.R. Famini,et al.  Using theoretical descriptors in quantitative structure activity relationships , 1989, Images of the Twenty-First Century. Proceedings of the Annual International Engineering in Medicine and Biology Society,.

[32]  C. Reichardt.  Solvents and Solvent Effects in Organic Chemistry , 1988 .

[33]  M. Abraham,et al.  The use of characteristic volumes to measure cavity terms in reversed phase liquid chromatography , 1987 .

[34]  P. Andrews,et al.  Functional group contributions to drug-receptor interactions. , 1984, Journal of medicinal chemistry.

[35]  S. Yalkowsky,et al.  Solubility and partitioning I: Solubility of nonelectrolytes in water. , 1980, Journal of pharmaceutical sciences.

[36]  A. Bangham,et al.  Diffusion of Small Non-Electrolytes across Liposome Membranes , 1972, Nature.

[37]  N. Sheppard.  Hydrogen Bonding , 1971, Nature.