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

Table 2 A summary of KS test p-values for the landscape significance test for the BCG and BZD datasets using multiple representations

Dataset	Representation	p-value	F_magnitude	F_significant
BCG	MACCS	0.010	0.063	0.063
	piDAPH3	0.307	0.050	NA
	TGD	< 2.2E-16	0.214	0.211
BZD	MACCS	0.098	0.050	NA
	piDAPH3	0.063	0.050	NA
	TGD	0..018	0.050	0.049

F_magnitude represent the fraction of SALI values that are identified as significant cliffs based on their magnitude being greater than a cutoff (95th percentile of the SALI values). F_significant is similar but only considers SALI values that are greater than the cutoff and exhibit a p-value < 0.05. If the landscape was not deemed significant, the latter was not reported.

ISSN: 1758-2946