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A highly cited paper on the use of CPSA and other descriptors to predict the fractional absorption of compounds based on their molecular structures
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Ruelle P., Kesselring U.W. The hydrophobic effect. 2. Relative importance of the hydrophobic effect on the solubility of hydrophobes and pharmaceuticals in H-bonded solvents. J Pharm Sci. 87:1998;998-1014. The authors describe the use and development of mobile order theory in solubility modeling. For the alcohol data set considered, excellent results were obtained. Contains a good discussion of the theory employed.
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One of the latest best efforts at modeling solubility based on molecular structures. Provides an excellent framework for researchers interested in solubility modeling
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Abraham M., Le J. The correlation and prediction of the solubility of compounds in water using and amended solvation energy relationship. J Pharm Sci. 88:1999;868-880. One of the latest best efforts at modeling solubility based on molecular structures. Provides an excellent framework for researchers interested in solubility modeling.
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