期刊
JOURNAL OF PHARMACEUTICAL SCIENCES
卷 91, 期 2, 页码 517-533出版社
JOHN WILEY & SONS INC
DOI: 10.1002/jps.10022
关键词
aqueous solubility; estimation; K-ow; melting point
An Amended Solvation Energy Relationship (ASER) was recently reported to successfully predict the aqueous solubilities of a set of 664 organic compounds. The average absolute error and root mean square error are 0.43 and 0.62 log units, respectively. When the General Solubility Equation (GSE) is applied to the same set of compounds, it gives an average absolute error of 0.45 log units and a root mean square error of 0.62 log units. These results are similar to those of the ASER method. The advantages and disadvantages of each method are discussed. It is shown that when the two methods agree with each other, they also agree with the experimentally determined values. (C) 2002 Wiley-Liss, Inc. and the American Pharmaceutical Association.
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