The fragment library in the augmented case is more extensive, comprising 199 fragments, including 13 unique molecular fragments, each associated with different weightings. As depicted with a red background in Figure , the six highest weightings are highlighted, while the weightings of other fragments are all below 3%. Notably, nearly 60% of fragments in the fragment library are the methyl group. In the augmented case, seven individual fragments, including ethylene group and six ring groups, are newly generated during the Fragmentation phase. The overall weighted percentage of the individual fragments in the fragment library in the augmented case is 16 %.