In the parameter study, we evaluate three parameters in the Fragmentation phase, as previously mentioned in Section 2.3: (1) N F in indicates the number of screened candidate molecules as input to the Fragmentation phase; (2) W F determines whether repeatedly occurring molecular fragments should be included. When set to True, this parameter ensures that the weighting of fragments is integrated into the composition of the resulting fragment library; and (3) S F signifies if all hydrogen atoms in a molecule fragment should be replaced by X-dummy atoms. When S F is set to True, the fragment library potentially provides more anchors for the Design phase, compared with a False value.