Prediction of aqueous solubility from SCRATCH
Several methods have been proposed for the prediction of aqueous solubility. This study proposes the SCRATCH model for the aqueous solubility estimation of a compound directly from its structure. The algorithm utilizes predicted melting points and predicted aqueous activity coefficients for the so...
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| Language: | EN |
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The University of Arizona.
2008
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| Online Access: | http://hdl.handle.net/10150/193517 |