Prediction of Solubility of Drugs by Conductor-Like Screening Model for Real Solvents
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概要
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The solubility of drugs in solvents is fundamentally important for drug development and manufacturing. As the experimental measurements of the solubility are extremely laborious tasks, reliable prediction methods are highly required. We have employed the conductor-like screening model for real solvents (COSMO-RS) in predicting the solubility of drugs and drug-like compounds in various solvent systems. We also evaluated the salt effect on the solubility of caffeine using this method. The present results demonstrated that COSMO-RS has reasonably reproduced the experimental data and have proved that this method is generally available in predicting the solubility of drugs.
- 公益社団法人日本薬学会の論文
- 2005-02-01
著者
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Chiba Kouji
Computational Science Department Science & Technology Systems Division Ryoka Systems Inc.
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Ikeda Hirotaka
Computational Science Department Science & Technology Systems Division Ryoka Systems Inc.
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KANOU Atsushi
Computational Science Department, Science & Technology Systems Division, Ryoka Systems Inc.
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HIRAYAMA Noriaki
Tokai University School of Medicine
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Kanou Atsushi
Computational Science Department Science & Technology Systems Division Ryoka Systems Inc.
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Hirayama N
Tokai Univ. School Of Medicine
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