Formulating the final composition for agrochemicals, pharmaceuticals, cosmetics or food products is a key step in product development. With BIOVIA COSMOtherm you can predict the best suited solvent or cosolvent for your formulation. By focusing on the most promising compositions, the experimental effort will be reduced while the quality of your formulations will be maintained or improved.
Find and optimize solvents, co-solvents or matrices to obtain the desired solubility for your flavors, fragrances, UV-filters and additives. Calculate in which phase your compounds will go, and determine whether they will accumulate inside the fatty phase or at the interface or just stay in the aqueous phase.
Different aroma molecules will be differently influenced by the matrix they are embedded in. When changing the composition of your product, possible effects on smell or taste can be estimated by calculating the changes of activity coefficients or partial pressures of the ingredients.
Micelles are important for many consumer goods because micelles are often found in these products. Our BIOVIA COSMOplex and BIOVIA COSMOperm tool provides unique access to micellar distribution properties, retaining the 3D-structure of the micelle, but being 10000 times faster and probably even more accurate than molecular dynamics simulations. See also "Amphiphilic Drug-Like Molecules Accumulate in a Membrane below the Head Group Region"
