Table 5.

Numbers of drug features extractable from the knowledge graph, with different levels of filtering

		DILI	SCAR
	Neighbors	5,488,531	5,488,510
No filtering (deg = -1)	k	19	20
	t	21	21
	Neighbors	2,419,957	2,419,920
Filtering level 1 (deg = 500)	k	23	23
	t	21	21
Filtering level 2 (deg = 500, smin = 5, k = 3, t = 3)	Neighbors	175,652	179,694
	Paths & path patterns	20,145,635	29,011,996
Filtering level 3 (deg = 500, smin = 5, k = 3, t 3, mDILI = pgm and mSCAR = pg)
	Neighbors	4069	1594
	Paths & path patterns	102,674	86,753

The first line corresponds to the full neighborhood of drugs from DILI and SCAR expert classifications. $\mathit{deg}=-1$ means that all nodes are considered, regardless of their degree, whereas $\mathit{deg}=500$ in Filtering level 1 means that nodes with a degree $>\mathit{deg}$ are filtered out. In the two first lines (No filtering and Filtering level 1), k and t are unconstrained, so reported values are maximum k and t observed in the graph. Paths and paths pattern are computed only when deg and $s_{\text{min}}$ (minimum support) are set, to avoid combinatorial explosion. Filtering level 2 and 3 share the following additional parameters: $undirected=\mathtt{false}$, $s_{\text{max}}=+\infty$. In Filtering level 3, m is set for additional filtering. Distinct values for m chosen respectively for DILI and SCAR are those associated with the best performances, e.g., $m_{\mathit{DILI}}=\mathtt{pgm}$ and $m_{\mathit{SCAR}}=\mathtt{pg}$