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	0.500	0.200	0	3
PFp2D	Tanimotot	3.832	0.870	0.710	3	2529
PFp2D	Tanimotos	2.554	0.804	0.604	3	3796
PFp2D	Tanimotoa	8.902	0.944	0.546	3	1087
PFp2D	Tanimotosa	2.554	0.804	0.604	3	3796
PFp2D	Euclideant	2.009	0.751	23.728	3	4826
PFp2D	Euclideann	3.405	0.853	0.485	3	2847
PFp2D	Euclideana	3.373	0.852	10.212	3	2874
PFp2D	Euclideanw	3.269	0.731	14.768	2	1977
PFp2D	Euclideanwan	57.245	0.828	0.142	2	111
PFp2D	Tanimoto	NaN	0.500	0.200	0	0
PFp2D	NormalizedEuclidean	0.000	0.500	0.200	0	3
PFp2D	Tanimotot0.3	3.834	0.870	0.709	3	2528
PFp2D	Tanimotos0.3	2.405	0.792	0.573	3	4032
PFp2D	Tanimotoa0.3	8.821	0.943	0.546	3	1097
PFp2D	Tanimotosa0.3	2.405	0.792	0.573	3	4032
PFp2D	Euclideant0.3	2.012	0.752	23.669	3	4820
PFp2D	Euclideann0.3	3.407	0.853	0.485	3	2845
PFp2D	Euclideana0.3	3.304	0.849	10.679	3	2934
PFp2D	Euclideanw0.3	3.419	0.736	14.145	2	1890
PFp2D	Euclideanwan0.3	55.764	0.827	0.122	2	114
PFp2D	Tanimoto	0.000	0.500	0.200	0	1
PFp2D	NormalizedEuclidean	0.000	0.499	0.200	0	20
PFp2D	Tanimotot0.7	4.070	0.877	0.684	3	2381
PFp2D	Tanimotos0.7	2.414	0.793	0.565	3	4017
PFp2D	Tanimotoa0.7	8.482	0.941	0.523	3	1141
PFp2D	Tanimotosa0.7	2.490	0.799	0.545	3	3894
PFp2D	Euclideant0.7	2.067	0.758	20.789	3	4692
PFp2D	Euclideann0.7	3.599	0.861	0.468	3	2693
PFp2D	Euclideana0.7	3.424	0.854	10.089	3	2831
PFp2D	Euclideanw0.7	3.673	0.743	11.475	2	1759
PFp2D	Euclideanwan0.7	31.250	0.823	0.119	2	205
CFp	Tanimoto	NaN	0.500	0.200	0	0
CFp	NormalizedEuclidean	NaN	0.500	0.200	0	0
CFp	Tanimotot	1.887	0.735	0.789	3	5139
CFp	Tanimotoa	2.393	0.791	0.766	3	4052
CFp	Euclideant	1.096	0.544	12.288	3	8850
CFp	Euclideann	1.860	0.731	0.560	3	5215
CFp	Euclideana	2.376	0.790	7.357	3	4080
CFp	Euclideanw	3.229	0.730	8.597	2	2001
CFp	Euclideanwan	4.584	0.761	0.287	2	1409