We include this step solely to enhance effectiveness of the fragmentation in progress, particularly when N F in is chosen excessively large by users. This step is not active when N F in is reasonably determined or when the upper limit of the total number of carbon atoms is defined sufficiently high. In the context of our two case studies, where the goal is to design solvents for chemical processes, we follow the COSMO-CAMD framework's default setting and limit the number to 12 carbon atoms. The candidate molecule i, if overly complex, is deemed unsuitable as a solvent and is therefore excluded from further consideration. To streamline the implementation, we treat the entire complex candidate molecule i as a fragment, substituting all hydrogen atoms with X-dummy atoms (step 4 ○). And this fragment 250 can be rendered obsolete by the genetic algorithm with a high degree of probability.