Extended Data Fig. 2: A closer look at functional prompts.
From: Knowledge graph-enhanced molecular contrastive learning with functional prompt
Performance comparison of KANO with or without functional prompts, as well as architectures that incorporate functional group knowledge in different ways (addition or concatenation). The yellow bars indicate the addition of functional group knowledge to each atom, while the green bars signify the concatenation of this knowledge to the atom. The blue bars represent KANO without functional prompts, where the input molecules do not contain functional group knowledge from ElementKG. The pink bars represent injecting functional group knowledge to each atom using functional prompts. The results are reported as mean values +/- SD on three independent runs. The error bars represent the SD, while the dots represent three individual data points.
