The Experimental Solubility And Cosmo Rs Predicted Solubility In Download scientific diagram | cosmo rs predicted solubility and experimental solubility at room temperature (25 • c) of four phenolic compounds and triolein (ooo) in n hexane, dry 2 meox and 2. The poor cosmo rs quantitative description of solubility reported above, even when both bare and protected conformers are used simultaneously, combined with the discrepancy between cosmo rs and dft predicted conformer distributions, suggests that the default conformer weighting method of cosmo rs (eq 4 of section 2.2) may not be the best approach to describe the conformer distribution of va.
Cosmo Rs Predicted Solubility And Experimental Solubility At Room The plot demonstrates that cosmo rs is able to guide the selection of api des combinations in order to potentially ease the time consuming experimental solubility screening associated with. To do so, cosmo rs was used to predict the solubility of va and eva in ethanol water mixtures, employing either single conformers or the standard conformer weighting procedure (see section 2.2). these results are depicted in figure 5, along with the corresponding experimental solubility curves. Computational prediction of the solubility of apis in conventional pharmaceutical solvents by cosmo rs has previously been reported by (pozarska et al., 2013) where the predictions showed the same rank order for 5 out of 7 apis between the cosmo rs predicted and experimental rank order for the majority of the 16 pure solvents such as: ethanol, peg 400, dimethyl sulfoxide, benzyl alcohol, oleic. Regarding quantitative comparison, cosmo rs outperformed pc saft for 9 of the 10 apis and for 63% of the api solvent systems, with root mean square deviations of the predicted data from the entire experimental data set being 0.82 and 1.44 log units, respectively. the results were further analyzed to expand the picture of the performance of both.
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