Table 1.

Elapsed time for single threaded similarity matrix computation

Method	Number of compounds	Number of comparisons	Elapsed time
FP	40	1.6 103	0.5 s
FP	400	1.6 105	0.7 s
FP	4000	1.6 107	8 s
AAP	40	1.6 103	1 s
AAP	400	1.6 105	19 s
AAP	4000	1.6 107	33 min
MOS	40	1.6 103	62 s
MOS	400	1.6 105	84 min
MOS	4000	1.6 107	~6 days

Time for 4000 compounds with MOS is extrapolated.