|Solvent selection is critical in tuning and optimizing media-based chemical reactions, assays and operational processes. The effects caused by a solvent derive from its chemical properties and molecular structure.|
Matching ThermoML data for candidates can then be applied to fine-tune the composition of a solvent mixture in dependence of temperature and pressure conditions. Further, comparison of alternatives will support “green” process design. In combination with quantitative structure-property relationships (QSPRs), structurally modified candidates can virtually be probed and ranked with respect to their performance as an optimal medium for a specific task.