Figure S27: Crucial substructure mining results of MGA framework and fragment-based method for ‘Endocrine disorders’ task. The red highlights display the crucial fragments for certain molecule. The highlights of the left column and the right column represent ‘Ground Truth’ fragment from the literature, and the fragment-based attribution result. References [19\cite{bib61}] give the related literature, and ‘Top-k’ denotes that the fragment ranks the k-th highest in the overall results for the molecule. The brown highlights in the middle column display the substructure obtained from multitask graph attention framework. The atoms with darker colors are more crucial.