Table 1 Results obtained for 40 query compounds from the FDA database.

Query	OptiPharm		2L-GO-Pharm		Ranking
Query	Target	\(Tc_{E}\)	Target	\(Tc_{E}\)	Rk
DB00529	DB00818	0.720	DB00818	0.731	1
DB00331	DB01018	0.790	DB01018	0.810	1
DB01365	DB01626	0.964	DB06706	0.969	4
DB01352	DB00306	0.983	DB00306	0.986	1
DB00380	DB08971	0.505	DB08971	0.532	1
DB00674	DB00514	0.662	DB00405	0.699	4
DB00632	DB00898	0.997	DB00898	0.997	1
DB07615	DB09218	0.892	DB09218	0.896	1
DB00693	DB00692	0.454	DB00765	0.484	5
DB00887	DB01127	0.662	DB01127	0.659	1
DB09219	DB00316	0.450	DB09236	0.502	4
DB00381	DB00630	0.377	DB01023	0.432	6
DB09237	DB08998	0.902	DB08998	0.919	1
DB01198	DB00123	0.894	DB00123	0.897	1
DB00876	DB00774	0.532	DB00774	0.572	1
DB01621	DB04861	0.867	DB08897	0.868	10
DB09236	DB00449	0.664	DB00449	0.681	1
DB08903	DB01359	0.888	DB01227	0.897	2
DB00728	DB09131	0.874	DB00728	0.883	1
DB01419	DB01611	0.933	DB01611	0.938	1
DB00320	DB00120	0.563	DB00120	0.578	1
DB01232	DB09089	0.791	DB09089	0.793	1
DB00246	DB05271	0.877	DB09019	0.896	7
DB00503	DB01144	0.401	DB00615	0.468	3
DB09114	DB00583	0.876	DB00583	0.878	1
DB00254	DB00271	0.836	DB00271	0.847	1
DB00309	DB00319	0.467	DB00319	0.476	1
DB06439	DB00878	0.488	DB08965	0.529	4
DB01196	DB08797	0.527	DB00828	0.547	7
DB01078	DB01085	0.540	DB01085	0.565	1
DB01590	DB00653	0.529	DB00653	0.536	1
DB04894	DB09131	0.662	DB09131	0.669	1
DB04786	DB09159	0.910	DB09138	0.919	3
DB00732	DB00653	0.508	DB01333	0.535	2
DB00403	DB06335	0.575	DB06335	0.602	1
DB00050	DB00516	0.385	DB06274	0.409	7
DB06699	DB09131	0.642	DB09131	0.656	1
DB06219	DB09131	0.670	DB09131	0.654	1
Mean	–	0.691	–	0.708	2.4

For each query, the target with the best value of electrostatic similarity (\(Tc_{E}\)) found by OptiPharm Robust (see¹⁵) and the one obtained by 2L-GO-Pharm are reported. In the last column (Ranking), we indicate the position of the OptiPharm target in the list of targets found by 2L-GO-Pharm ordered from the most to the least similar.

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