Fig. 5

Performance and efficiency of the models relative to the GIN of the atom graph in molecular property (MP) prediction. A Optimization of the GIN of motif-pretraining, FGS graph, FGS-pretraining and group graph to the GIN of the atom graph (Eq. 1); higher optimization means better performance than GIN of the atom graph. B Relative runtime of the GIN of motif-pretraining, FGS graph, FGS-pretraining and group graph to the GIN of the atom graph. A negative relative runtime means a shorter runtime than the GIN of the atom graph