On the validity versus utility of activity landscapes: are all activity cliffs statistically significant?

Table 1 Summary of datasets employed in this study

Dataset	Num. Obs.	Targets	Endpoints	Representations	Ref.
BZD	91	Benzimidazole analogues tested against G. intestinallis (Gi)	pIC₅₀	MACCS, piDAPH3, TGD	[22–25]
BCG	48	Bicyclic guanidines with Kappa opioid receptor binding affinity	pIC₅₀	MACCS, piDAPH3, TGD	[15]
OP	98	Delta, Kappa, Mu opioid receptors	pK_i	MACCS, Atompairs, Radial, piDAPH3	[26, 27]
CA	96	CA I, CA II, CA IX, CA XII	pK_i	MACCS, Atompairs, Radial, piDAPH3	[26, 27]
MT	299	Norepinephrine, serotonin and dopamine transporters	Potency (nM)	MACCS, Atompairs, Radial, piDAPH3	[26, 27]

ISSN: 1758-2946