Table 1.

Results of the full COMBINE HIV-PR model validation

	HIV-PR from Perez et al. COMBINE AMBER model [5]	HIV-PR inhibitors	Taxanesa	BRD4-BD1 inhibitorsa
r2	0.89	0.85	0.94	0.81
q2	0.70	0.77	0.60	0.56
SDEPcv	0.72	0.63	0.91	0.36
SDEPext	0.83	0.82	–	–
r2ext	–	0.78	–	–

^aAverages using a 80%/20% training/test sets split and 20 times repeats. HIV-PR values were obtained as described in the text