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. 2021 Nov 12;13:85. doi: 10.1186/s13321-021-00561-9

Table 1.

The number of ligands and bioactivities for each of the human protein targets A1AR, A2AAR and hERG in the LIGAND set

A1AR A2AAR hERG
Total ligands 7700 8406 16,733
Bioactivities 13,100 12,129 22,156

Active ligands

(pX ≥ 6.5)

 1990 2511 924

Inactive ligands

(pX < 6.5)

 1859 1709 6438

Inactive ligands

(No pX)

 1764 1993 1275
Other ligands 2087 4704 8906