a quanitative structure property relationship was proposed to calculate the binary interaction terms of the jouyban-acree model using solubility parameter, boiling point, vapour pressure and density of solvents. the applicability of the proposed method for reproducing solubility data of anthracene in binary solvents has been evaluated using 116 solubility data sets collected from the literature...

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...

the extended hildebrand solubility parameter approach (ehsa) is used to estimate the solubility of satranidazole in binary solvent systems. the solubility of satranidazole in various water-peg 400 mixtures was analyzed in terms of solute-solvent interactions using a modified version of hildebrand-scatchard treatment for regular solutions. the solubility equation employs term interaction energy ...

solubility of high molecular weight n-paraffins in supercritical carbon dioxide has been a matter of interest to many researchers. however, not sufficient solubility experimental data are available although the methods by which the experimental data are obtained have many varieties. utilizing cubic equations of state is an effective method for solubility prediction of n-paraffins in supercritic...

the descriptors computed by hyperchem® software were employed to represent the solubility of 40 drug molecules in supercritical carbon dioxide using an artificial neural network with the architecture of 15-4-1. the accuracy of the proposed method was evaluated by computing average of absolute error (ae) of calculated and experimental logarithm of solubilities. the ae (±sd) of data sets was 0.4 ...

Solubility of high molecular weight n-paraffins in supercritical carbon dioxide has been a matter of interest to many researchers. However, not sufficient solubility experimental data are available although the methods by which the experimental data are obtained have many varieties. Utilizing cubic equations of state is an effective method for solubility prediction of n-paraffins in supercr...

       The Extended Hildebrand Solubility Parameter Approach (EHSA) is used to estimate the solubility of satranidazole in binary solvent systems. The solubility of satranidazole in various water-PEG 400 mixtures was analyzed in terms of solute-solvent interactions using a modified version of Hildebrand-Scatchard treatment for regular solutions. The solubility equation employs term interaction ...

Solubility prediction of high molecular weight molecules in high-pressure solvents is an interesting field of research. Sometimes the solubility data are not available for several components due to lacking of valid equipments. Therefore, an accurate prediction technique can help the researchers. According to the literature, the simple Equations of State (EoSs) such as Soave-Redlich-Kwong (SRK),...

Aqueous solubility is one of the most important ADMET properties to assess and to optimize during the drug discovery process. At present, accurate prediction of solubility remains very challenging and there is an important need of independent benchmarking of the existing in silico models such as to suggest solutions for their improvement. In this study, we developed a new protocol for improved ...

The revised general solubility equation (GSE) proposed by Jain and Yalkowsky is used to estimate the aqueous solubility of a set of organic nonelectrolytes studied by Jorgensen and Duffy. The only inputs used in the GSE are the Celsius melting point (MP) and the octanol water partition coefficient (K(ow)). These are generally known, easily measured, or easily calculated. The GSE does not utiliz...