Target file name	hit-nci10000.smiles
Test set file name	hit-alpha1_adrenoceptor_agonists.smiles
Query file name	opt-query-alpha1_adrenoceptor_agonists.smiles

Number of queries	1
Number of test set elements	3
Number of targets	9700

Descr	Metric	Enrichment	SelectivityEffectiveness	Threshold	Test Hits	Target Hits
PFp2D	Tanimoto	NaN	0.500	0.200	0	0
PFp2D	NormalizedEuclidean	0.000	0.499	0.200	0	17
PFp2D	Tanimotot	4.077	0.877	0.741	3	2377
PFp2D	Tanimotos	2.232	0.776	0.660	3	4345
PFp2D	Tanimotoa	6.565	0.924	0.597	3	1475
PFp2D	Tanimotosa	2.344	0.787	0.652	3	4136
PFp2D	Euclideant	2.009	0.751	25.495	3	4826
PFp2D	Euclideann	3.701	0.865	0.495	3	2619
PFp2D	Euclideana	2.971	0.832	14.007	3	3263
PFp2D	Euclideanw	5.022	0.901	16.619	3	1929
PFp2D	Euclideanwan	33.867	0.824	0.126	2	189
PFp2D	Tanimoto	NaN	0.500	0.200	0	0
PFp2D	NormalizedEuclidean	0.000	0.499	0.200	0	18
PFp2D	Tanimotot0.3	4.077	0.877	0.741	3	2377
PFp2D	Tanimotos0.3	2.161	0.769	0.646	3	4488
PFp2D	Tanimotoa0.3	6.561	0.924	0.597	3	1476
PFp2D	Tanimotosa0.3	2.354	0.788	0.648	3	4119
PFp2D	Euclideant0.3	2.012	0.752	25.440	3	4819
PFp2D	Euclideann0.3	3.701	0.865	0.495	3	2619
PFp2D	Euclideana0.3	2.973	0.832	13.978	3	3261
PFp2D	Euclideanw0.3	4.943	0.899	17.306	3	1960
PFp2D	Euclideanwan0.3	61.025	0.828	0.111	2	104
PFp2D	Tanimoto	NaN	0.500	0.200	0	0
PFp2D	NormalizedEuclidean	0.000	0.498	0.200	0	35
PFp2D	Tanimotot0.7	4.217	0.882	0.727	3	2298
PFp2D	Tanimotos0.7	2.221	0.775	0.641	3	4366
PFp2D	Tanimotoa0.7	6.443	0.923	0.581	3	1503
PFp2D	Tanimotosa0.7	2.402	0.792	0.638	3	4036
PFp2D	Euclideant0.7	2.089	0.761	22.589	3	4642
PFp2D	Euclideann0.7	3.906	0.872	0.482	3	2481
PFp2D	Euclideana0.7	3.077	0.838	13.544	3	3150
PFp2D	Euclideanw0.7	4.852	0.897	15.924	3	1997
PFp2D	Euclideanwan0.7	29.007	0.822	0.122	2	221
CFp	Tanimoto	NaN	0.500	0.200	0	0
CFp	NormalizedEuclidean	NaN	0.500	0.200	0	0
CFp	Tanimotot	3.143	0.841	0.841	3	3084
CFp	Tanimotoa	5.782	0.914	0.842	3	1675
CFp	Euclideant	0.807	0.420	10.817	2	8016
CFp	Euclideann	2.254	0.778	0.561	3	4301
CFp	Euclideana	5.803	0.914	3.980	3	1669
CFp	Euclideanw	1.225	0.531	7.733	1	2639
CFp	Euclideanwan	18.588	0.658	0.257	1	173