(21)), the ideal dissociation model (Eq. (26)), and the molality- and mole fraction-based ideal dilute models defined in Eqs. (22), (24), (23) and (25), respectively, www.selleckchem.com/products/BAY-73-4506.html were used to make predictions of solution osmolality in each of the ten multi-solute solution systems listed in Table 2. Fig. 1, Fig. 2, Fig. 3, Fig. 4, Fig. 5, Fig. 6, Fig. 7, Fig. 8, Fig. 9 and Fig. 10 show a representative isopleth and corresponding model predictions

from each of the considered solution systems. Table 6 and Table 7 give the average values of RRTO2 and %MRME, respectively, calculated over all isopleths within a given solution system for each of the six models considered. Each table also contains an overall (unweighted, e.g. with respect to number of isopleths) average value of its corresponding measure calculated over all the solution systems for each model. Before discussing the results in Table 6 and Table 7, an important point should be

made regarding one of the measures of model prediction accuracy used in this work, that is, RRTO2. As is discussed in greater detail in Appendix B, RRTO2 is not directly comparable to a “standard” R  2 statistic (i.e.   one with the total sum of squares calculated using Eq. (B3) instead of Eq. (B7)). In fact, RRTO2 values for a given prediction or fit will always be higher than the corresponding R  2 values. Thus, for example, while a value of R  2 = 0.9 might represent a respectable prediction, RRTO2=0.9 does not. From GSK-3 activity the results in Table 6 and Table 7 and Fig. 1, Fig. 2, Fig. 3, Fig. 4, Fig. 5, Fig. 6, Fig. 7, Fig. 8, Fig. 9 and Fig. 10, it is evident that the three non-ideal models perform considerably better than the three ideal models. However, none of the three non-ideal models SSR128129E is clearly superior to the others. Each non-ideal model has solution systems where it is noticeably—at least, in terms of %MRME—more accurate than the other two (e.g. Me2SO + glycerol for the molality-based multi-solute osmotic virial equation, EG + NaCl + sucrose for the mole fraction-based multi-solute osmotic virial equation,

and NaCl + sucrose for the freezing point summation model), but overall the performance of all three non-ideal models is very close. In contrast to the non-ideal models, there is a distinct difference in the performance of one of the ideal models relative to the other two: the molality-based ideal dilute model and the ideal dissociation model clearly provide more accurate predictions than the mole fraction-based ideal dilute model in almost all of the solution systems considered (the lone exception being BSA + OVL, where all three ideal models provide equally poor predictions). Given that the main difference between the molality- and mole fraction-based ideal dilute models is the way in which concentration is defined, the gap in their prediction accuracy highlights the importance of the choice of concentration units in thermodynamic modeling.