Fig. 2. Experimental validation of SpotXplorer0 on known target classes.

a SpotXplorer0 pilot library screening yielded a diverse set of confirmed hits for validated GPCR and protease drug targets. Hits are denoted by color in their respective plate positions (upper panel: 5-HT_1A with red, 5-HT₆ with green, 5-HT₇ with blue, lower panel: factor Xa with red, thrombin with green). b The handful of hit compounds from SpotXplorer0 represents the majority of pharmacophore models (black) that occur over the respective sets of (typically 4–11 times more) fragment-sized ligands in the ChEMBL database (Percentages are reported in Table 1).