Faraidon Ghaderi
Department of Chemistry, Faculty of Science, Sanandaj Branch, Islamic Azad University, Sanandaj, Iran
[ 1 ] - Prediction of boiling point and water solubility of crude oil hydrocarbons using sub-structural molecular fragments method
The quantitative structure–property relationship (QSPR) method is used to develop the correlation between structures of crude oil hydrocarbons (80 compounds) and their boiling point and water solubility. Sub-structural molecular fragments (SMF) calculated from structure alone were used to represent molecular structures. A subset of the calculated fragments selected using stepwise regression (fo...
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