The goal of the Fragmentation phase is to integrate the results of the Screening phase into the Design phase, thereby providing a warm start for the initialization of the genetic algorithm used in the framework COSMO-CAMD. Accordingly, the output of the Fragmentation phase must align with the requirements necessary for initializing LEA3D. The initialization of LEA3D is composed of two components: the fragment library and the candidate molecules of the initial population, as seen in Figure . Thus, it is imperative that both components are included in the output of the Fragmentation phase.