The warm-started COSMO-CAMD framework consists of three phases: Screening, Fragmentation, and Design, as illustrated in Figure . The main idea behind integrating molecular 100 screening into molecular design is to leverage the low computational cost of database screening by using stored σ-profiles, quantum-chemistry-derived molecular descriptors that encode the polarity of molecules, In the Screening phase, an existing database with stored σ-profiles serves as the molecular screening space. The framework evaluates each molecule against a specific target criterion, such as the distribution coefficient for use as an extraction solvent, to identify promising can-didates. This evaluation generates a ranking of all candidate molecules in the database that 110 then serves as input for the Fragmentation phase. In this phase, the candidate molecules are automatically broken down into molecular fragments, stored in a fragment library, while simultaneously allowing for their reconstruction based on these fragments. The reconstruction information is stored in lea-string notations, a computational representation of molecules.