Vìsnik Odesʹkogo Nacìonalʹnogo Unìversitetu: Hìmìâ (Dec 2014)
QSPR ANALYSIS OF TEMPERATURE RELATED AQUEOUS SOLUBILITY OF ORGANIC COMPOUNDS
Abstract
2D-QSPR models were developed in order to predict aqueous solubility of organic compounds at different temperatures. Impact of various structure features was analyzed and benzene residues contribution to solubility was defined. A reliable model which allows to assess temperature influence on forming compounds solubility was developed.
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