Table 6 Open in new tab Ablation study... | Oxford Academic

Table 6

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Ablation study for Graphormer Encoders

Centrality Encoding	Edge Encoding	Spatial Encoding	RMSE	\|$R$\|	Docking power	Hit rate	EF(re-docking)
			1.757	0.802	0.758	0.116	11.207
*			1.915	0.754	0.719	0.111	10.684
	*		1.654	0.809	0.810	0.130	12.703
		*	1.663	0.809	0.764	0.120	11.698
*	*		1.828	0.742	0.726	0.130	12.013
*		*	1.831	0.733	0.722	0.111	10.802
	*	*	1.529	0.835	0.889	0.139	13.580
*	*	*	1.762	0.775	0.778	0.112	10.855

Centrality Encoding	Edge Encoding	Spatial Encoding	RMSE	\|$R$\|	Docking power	Hit rate	EF(re-docking)
			1.757	0.802	0.758	0.116	11.207
*			1.915	0.754	0.719	0.111	10.684
	*		1.654	0.809	0.810	0.130	12.703
		*	1.663	0.809	0.764	0.120	11.698
*	*		1.828	0.742	0.726	0.130	12.013
*		*	1.831	0.733	0.722	0.111	10.802
	*	*	1.529	0.835	0.889	0.139	13.580
*	*	*	1.762	0.775	0.778	0.112	10.855

|$^{1}$| * means the corresponding Encoding features have been used. |$^{2}$| Bold font indicates the maximum value in a column.

Table 6

Open in new tab

Ablation study for Graphormer Encoders

Centrality Encoding	Edge Encoding	Spatial Encoding	RMSE	\|$R$\|	Docking power	Hit rate	EF(re-docking)
			1.757	0.802	0.758	0.116	11.207
*			1.915	0.754	0.719	0.111	10.684
	*		1.654	0.809	0.810	0.130	12.703
		*	1.663	0.809	0.764	0.120	11.698
*	*		1.828	0.742	0.726	0.130	12.013
*		*	1.831	0.733	0.722	0.111	10.802
	*	*	1.529	0.835	0.889	0.139	13.580
*	*	*	1.762	0.775	0.778	0.112	10.855

Centrality Encoding	Edge Encoding	Spatial Encoding	RMSE	\|$R$\|	Docking power	Hit rate	EF(re-docking)
			1.757	0.802	0.758	0.116	11.207
*			1.915	0.754	0.719	0.111	10.684
	*		1.654	0.809	0.810	0.130	12.703
		*	1.663	0.809	0.764	0.120	11.698
*	*		1.828	0.742	0.726	0.130	12.013
*		*	1.831	0.733	0.722	0.111	10.802
	*	*	1.529	0.835	0.889	0.139	13.580
*	*	*	1.762	0.775	0.778	0.112	10.855

|$^{1}$| * means the corresponding Encoding features have been used. |$^{2}$| Bold font indicates the maximum value in a column.