The Fragmentation phase is written in programming language Perl version 5, and has undergone testing with over 3640 candidate molecules from the COSMO database. It is worth noting that the fragmentation procedure involves several setup parameters, such as N F in , W F and S F . These parameters have a discernible impact on the composition and quality of the resulting fragment library, consequently impacting the performance of the Additionally, a trade-off is required for the fragment library: On the one hand, broad diversity and variability are necessary to construct a potentially expansive design space Y for CAMD; on the other hand, a compact and concise size is crucial to ensure efficient computation in the Design phase, in particular to avoid expensive quantum mechanical calculations on unpromising candidate molecules. To assess the impact of the parameters N F in , W F , and S F , we conduct a parameter study in our first case study. In the following, we apply the warm-started COSMO-CAMD framework to design an optimized solvent for the purification of γ-valerolactone (GVL) from an aqueous stream in a hybrid extraction-distillation process. This process has already been utilized in a solvent screening approach and an integrated solvent and process design framework. The process flowsheet is illustrated in Figure .