Solubility

Prediction of Aqueous Solubility of Organic Compounds Based on a 3D Structure Representation

Aixia Yan and Johann Gasteiger

J. Chem. Inf. Comput. Sci., 43 (2), 429 -434, 2003 Get Paper

Prediction of Aqueous Solubility of a Diverse Set of Compounds Using Quantitative Structure-Property Relationships

Ailan Cheng and Kenneth M. Merz, Jr.

J. Med. Chem., 46(17), 3572 - 3580, 2003. Get Paper

Modeling Aqueous Solubility

Darko Butina and Joelle M. R. Gola

J. Chem. Inf. Comput. Sci., 43 (3), 837 -841, 2003. Get Paper

Prediction of Aqueous Solubility and Partition Coefficient Optimized by a Genetic Algorithm Based Descriptor Selection Method

Jörg K. Wegner and Andreas Zell

J. Chem. Inf. Comput. Sci., 43 (3), 1077 -1084, 2003. Get Paper

Prediction of aqueous solubility of drugs and pesticides with COSMO-RS

Andreas Klamt, Frank Eckert, Martin Hornig, Michael E. Beck, and Thorsten Bürger

J. Comput. Chem., 23(2), 275-281, 2002. Get Paper

Estimation of the Aqueous Solubility of Organic Molecules by the Group Contribution Approach

Gilles Klopman and Hao Zhu

J. Chem. Inf. Comput. Sci., 41 (2), 439 -445, 2001. Get Paper

Prediction of Drug Solubility by the General Solubility Equation (GSE)

Yingqing Ran and Samuel H. Yalkowsky

J. Chem. Inf. Comput. Sci., 41 (2), 354 -357, 2001. Get Paper

Prediction of Aqueous Solubility of Heteroatom-Containing Organic Compounds from Molecular Structure

Nathan R. McElroy and Peter C. Jurs

J. Chem. Inf. Comput. Sci., 41 (5), 1237 -1247, 2001. Get Paper

Prediction of Aqueous Solubility of Organic Compounds by the General Solubility Equation (GSE)

Yingqing Ran, Neera Jain, and Samuel H. Yalkowsky

J. Chem. Inf. Comput. Sci., 41 (5), 1208 -1217, 2001. Get Paper

A Fuzzy ARTMAP Based on Quantitative Structure-Property Relationships (QSPRs) for Predicting Aqueous Solubility of Organic Compounds

Denise Yaffe, Yoram Cohen, Gabriela Espinosa, Alex Arenas, and Francesc Giralt

J. Chem. Inf. Comput. Sci., 41 (5), 1177 -1207, 2001. Get Paper

Development of Quantitative Structure-Property Relationship Models for Early ADME Evaluation in Drug Discovery. 1. Aqueous Solubility

Ruifeng Liu and Sung-Sau So

J. Chem. Inf. Comput. Sci., 41 (6), 1633 -1639, 2001. Get Paper

Search for Predictive Generic Model of Aqueous Solubility Using Bayesian Neural Nets

Pierre Bruneau

J. Chem. Inf. Comput. Sci., 41 (6), 1605 -1616, 2001. Get Paper

Comparison of Two Methods for Predicting Aqueous Solubility

Debra L. Peterson and Samuel H. Yalkowsky

J. Chem. Inf. Comput. Sci., 41 (6), 1531 -1534, 2001. Get Paper

Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices

Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa

J. Chem. Inf. Comput. Sci., 41 (6), 1488 -1493, 2001. Get Paper

Prediction of aqueous solubility for a diverse set of organic compounds based on atom-type electrotopological state indices

Jarmo Huuskonen, Jukka Rantanen and David Livingstone

Eur. J. Med. Chem., 35 (12), 1081-1088, 2000. Get Paper

Prediction of drug solubility from Monte Carlo simulations

William L. Jorgensen and Erin M. Duffy

Bioorg. Med. Chem. Lett., 10(11), 1155-8, 2000. Get Paper

The correlation and prediction of the solubility of compounds in water using an amended solvation energy relationship

Michael H. Abraham, and Joelle Le

J. Pharm. Sci., 88 (9), 868-880, 1999. Get Paper

Prediction of Aqueous Solubility of Organic Compounds from Molecular Structure

Brooke E. Mitchell and Peter C. Jurs

J. Chem. Inf. Comput. Sci., 38 (3), 489 -496, 1998. Get Paper

Aqueous Solubility Prediction of Drugs Based on Molecular Topology and Neural Network Modeling

Jarmo Huuskonen, Marja Salo, and Jyrki Taskinen

J. Chem. Inf. Comput. Sci., 38 (3), 450 -456, 1998. Get Paper

Correlation of the Aqueous Solubility of Hydrocarbons and Halogenated Hydrocarbons with Molecular Structure

Paul D. T. Huibers and Alan R. Katritzky

J. Chem. Inf. Comput. Sci., 38 (2), 283 -292, 1998. Get Paper

Neural network modeling for estimation of the aqueous solubility of structurally related drugs.

Jarmo Huuskonen, Marja Salo, Jyrki Taskinen

J. Pharm. Sci., 86 (4), 450-454, 1997. Get Paper

Prediction of Aqueous Solubility for a Diverse Set of Heteroatom-Containing Organic Compounds Using a Quantitative Structure-Property Relationship

Jon M. Sutter and Peter C. Jurs

J. Chem. Inf. Comput. Sci., 36 (1), 100 -107, 1996. Get Paper