Table 3:

The performance comparison of MOA prediction between KGML-xDTD and different baseline models (e.g., MultiHop and KGML-xDTD w/o DP) based on the test set (described in “Data split” section). The metrics in this table are calculated using path scores and all non-DrugMechDB-matched 3-hop paths between drug and disease as “negative” paths for each true-positive drug–disease pair (see more details in “MOA prediction evaluation method” section)

Model	MPR	MRR	Hit@1	Hit@10	Hit@50	Hit@100	Hit@500
MultiHop	61.400%	0.027	0.017	0.042	0.067	0.118	0.345
KGML-xDTD w/o DP	72.965%	0.015	0.008	0.017	0.067	0.160	0.403
KGML-xDTD (ours)	94.696%	0.109	0.059	0.193	0.496	0.613	0.849

The abbreviation “w/o DP” in the name of model “KKGML-xDTD w/o DP” represents “without using demonstration paths.”