Prediction of aqueous solubility from SCRATCH
نویسندگان
چکیده
منابع مشابه
Prediction of aqueous solubility from SCRATCH.
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. It uses two additive, constitutive molecular descriptors (enthalpy of melting and aqueous activity coefficient) and two non-additive molecular descriptors (symmetry and flexibility). Th...
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ژورنال
عنوان ژورنال: International Journal of Pharmaceutics
سال: 2010
ISSN: 0378-5173
DOI: 10.1016/j.ijpharm.2009.10.003