Table 4. Percentage of Recalled Kinase Ligands, Using the Three Different Fingerprints, at 1, 5, and 10% of Total Screened Database^a.

			DISTRIB_FP_300b			FRAG_FP_1024			CACTVS_881
kinase target	# ligands	# decoys	PR1%	PR5%	PR10%	PR1%	PR5%	PR10%	PR1%	PR5%	PR10%
abl1	182	10 749	4.4	17.6	41.2	10.4	27.5	44.0	6.6	38.5	61.5
akt1	293	16 439	27.6	78.5	86.3	10.2	54.6	66.6	16.7	40.6	65.5
akt2	117	6900	28.2	70.1	79.5	22.2	59.8	74.4	19.7	42.7	66.7
braf	152	9950	11.2	16.4	35.5	34.9	51.3	63.8	12.5	29.6	40.8
cdk2	474	27 846	7.2	21.5	34.2	4.6	13.9	25.5	5.3	16.0	28.9
csf1r	166	12 149	16.3	39.2	50.0	33.1	51.8	66.3	15.7	31.9	41.0
egfr	542	35 049	45.6	76.6	82.7	50.9	79.3	86.0	27.7	63.8	75.1
fak1	100	5350	41.0	94.0	96.0	37.0	86.0	91.0	30.0	68.0	90.0
fgfr1	139	8700	11.5	32.4	51.8	0.0	10.8	25.2	9.4	36.0	45.3
igf1r	148	9300	17.6	58.8	79.1	23.6	39.2	59.5	20.9	43.9	66.9
jak2	107	6498	30.8	62.6	73.8	22.4	36.4	49.5	23.4	44.9	56.1
kit	166	10 450	5.4	7.8	10.2	3.6	22.9	38.0	6.6	20.5	31.3
kpcb	135	8697	56.3	67.4	68.9	52.6	68.1	70.4	55.6	68.1	71.9
lck	420	27 396	27.4	49.0	64.8	22.1	40.0	52.9	28.3	61.0	74.5
mapk2	101	6145	23.8	38.6	40.6	34.7	35.6	38.6	40.6	65.3	75.2
met	166	11 250	50.6	70.5	75.9	54.8	70.5	78.9	31.9	70.5	75.9
mk01	79	4547	57.0	73.4	79.7	57.0	69.6	72.2	46.8	77.2	86.1
mk10	104	6600	2.9	6.7	6.7	1.9	6.7	6.7	1.0	1.0	1.9
mk14	578	35 850	12.5	36.9	56.9	8.7	26.0	43.1	8.8	33.0	50.0
mp2k1	121	8148	24.0	31.4	37.2	19.8	23.1	39.7	19.8	21.5	28.1
plk1	107	6800	13.1	32.7	56.1	1.9	10.3	14.0	13.1	44.9	59.8
rock1	100	6300	0.0	0.0	0.0	2.0	6.0	16.0	4.0	9.0	11.0
src	524	34 494	31.7	61.8	73.1	13.2	27.9	38.2	17.2	33.6	46.4
tgfr1	133	8500	49.6	82.0	91.7	47.4	82.7	95.5	43.6	85.0	92.5
vgfr2	409	24 949	20.0	43.3	57.7	12.2	31.3	41.1	28.1	52.6	69.4
wee1	102	6149	61.8	90.2	90.2	61.8	91.2	92.2	61.8	90.2	91.2

^aBold entries indicate best values for each category of percent recall (PR).

^bDISTRIB_FP_300 were computed by averaging fragment vectors obtained from skip-gram architecture.