نتایج جستجو برای: solubility prediction

تعداد نتایج: 274772  

2013
Pavan B. Rathi Kirti V. Deshpande Prabhakar S. Panzade Jyotiranjan Roul

The extended Hildebrand solubility parameter approach is used to estimate the solubility of nabumetone in binary solvent systems. The solubility of nabumetone in various dioxane-water mixtures was analyzed in terms of solute-solvent interactions using a modified version of Hildebrand-Scatchard treatment for regular solutions. The solubility of nabumetone in the binary solvent, dioxane-water sho...

2010
Andrzej Marciniak

The Hildebrand's solubility parameters have been calculated for 18 ionic liquids from the inverse gas chromatography measurements of the activity coefficients at infinite dilution. Retention data were used for the calculation. The solubility parameters are helpful for the prediction of the solubility in the binary solvent mixtures. From the solubility parameters, the standard enthalpies of vapo...

Journal: :International Journal of Pharmaceutics 2010

Journal: :Journal of chemical information and modeling 2007
Anton Schwaighofer Timon Schroeter Sebastian Mika Julian Laub Antonius ter Laak Detlev Sülzle Ursula Ganzer Nikolaus Heinrich Klaus-Robert Müller

Accurate in silico models for predicting aqueous solubility are needed in drug design and discovery and many other areas of chemical research. We present a statistical modeling of aqueous solubility based on measured data, using a Gaussian Process nonlinear regression model (GPsol). We compare our results with those of 14 scientific studies and 6 commercial tools. This shows that the developed ...

2011
P. B. Rathi V. K. Mourya

The extended Hildebrand solubility parameter approach is used to estimate the solubility of satranidazole in binary solvent systems. The solubility of satranidazole in various dioxane-water mixtures was analyzed in terms of solute-solvent interactions using a modified version of Hildebrand-Scatchard treatment for regular solutions. The solubility of satranidazole in the binary solvent, dioxane-...

2013
K. V. Deshpande P. S. Panzade P. B. Rathi

Extended Hildebrand solubility approach is used to estimate the solubility of nabumetone in binary solvent systems. The solubility of nabumetone in various propylene glycol-water mixtures was analyzed in terms of solute-solvent interactions using a modified version of Hildebrand-Scatchard treatment for regular solutions. The solubility of nabumetone in the binary solvent, propylene glycol-water...

2012
P. B. Rathi V. K. Mourya

The solubility of satranidazole in several water-N,N-dimethylformamide mixtures was analysed in terms of solute-solvent interactions and data were treated on the basis of extended Hildebrand solubility approach. The solubility profile of satranidazole in water-N,N-dimethylformamide mixtures shows a curve with a solubility maxima well above the ideal solubility of drug. This is attributed to sol...

Journal: :Journal of chemical information and modeling 2009
Anton J. Hopfinger Emilio Xavier Esposito Antonio Llinàs Robert C. Glen Jonathan M. Goodman

The Solubility Challenge is based upon intrinsic solubility data measured in one laboratory for a set of biologically relevant compounds. More than 100 entries to the Solubility Challenge have been received. In several cases multiple entries came from the same person or group. In addition, more than 5% of the prediction sheet entries were incomplete in that predictions were not reported for all...

2011
A. Shayanfar A. Jouyban

Aqueous solubility of a drug/drug candidate is essential data in drug discovery, and an in silico method for predicting the aqueous solubility of drug candidates provides a valuable tool to speed up the process of drug discovery and development. This paper describes a simple quantitative structure property relationship (QSPR) model for predicting the aqueous solubility of drugs which is validat...

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