Publisher Summary This chapter presents case studies relevant to the pharmaceutical industry. The design of crystallization solvents for pharmaceuticals is discussed. In the manufacture of many pharmaceuticals, the high-molecular weight chemicals are recovered as pure solids from impure solutions via crystallization. One of the key decisions in designing solution-crystallization processes is the selection of solvents. This chapter describes a systematic approach involving computer aided molecular design (CAMD) technique, for solvent design/selection for crystallization of pharmaceuticals. Two case studies relating to the design of solvents for ibuprofen, an important pharmaceutical compound, are presented: (1) the first case study involves cooling crystallization solvent design while the (2) second case study involves design of solvent/antisolvent mixture for drowning out crystallization. An experimental verification step is also presented for the ibuprofen cooling crystallization solvent-design problem. Within the chemical process industry, crystallization is one of the key unit operations in the production of high-value chemicals. Crystallization from solution is widely used for the purification of drugs during the final stages of manufacture.