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	NaN	0.500	0.200	0	0
PFp2D	Tanimotot	3.951	0.874	0.718	3	2453
PFp2D	Tanimotos	2.558	0.703	0.527	2	2527
PFp2D	Tanimotoa	22.255	0.978	0.498	3	433
PFp2D	Tanimotosa	20.152	0.817	0.241	2	319
PFp2D	Euclideant	1.397	0.595	22.181	2	4629
PFp2D	Euclideann	3.478	0.856	0.514	3	2787
PFp2D	Euclideana	22.618	0.978	5.422	3	426
PFp2D	Euclideanw	0.000	0.429	11.162	0	1368
PFp2D	Euclideanwan	76.102	0.829	0.153	2	83
PFp2D	Tanimoto	NaN	0.500	0.200	0	0
PFp2D	NormalizedEuclidean	NaN	0.500	0.200	0	0
PFp2D	Tanimotot0.3	3.946	0.873	0.718	3	2456
PFp2D	Tanimotos0.3	2.555	0.703	0.488	2	2530
PFp2D	Tanimotoa0.3	22.306	0.978	0.497	3	432
PFp2D	Tanimotosa0.3	19.367	0.816	0.238	2	332
PFp2D	Euclideant0.3	1.400	0.595	22.122	2	4618
PFp2D	Euclideann0.3	3.485	0.857	0.513	3	2781
PFp2D	Euclideana0.3	22.618	0.978	5.403	3	426
PFp2D	Euclideanw0.3	2.382	0.597	11.203	1	1357
PFp2D	Euclideanwan0.3	53.022	0.664	0.140	1	60
PFp2D	Tanimoto	NaN	0.500	0.200	0	0
PFp2D	NormalizedEuclidean	0.000	0.500	0.200	0	3
PFp2D	Tanimotot0.7	3.863	0.871	0.705	3	2509
PFp2D	Tanimotos0.7	2.664	0.708	0.492	2	2426
PFp2D	Tanimotoa0.7	19.602	0.975	0.458	3	492
PFp2D	Tanimotosa0.7	15.894	0.812	0.253	2	405
PFp2D	Euclideant0.7	1.425	0.599	19.426	2	4537
PFp2D	Euclideann0.7	3.580	0.860	0.500	3	2707
PFp2D	Euclideana0.7	17.546	0.972	4.626	3	550
PFp2D	Euclideanw0.7	2.162	0.590	9.290	1	1495
PFp2D	Euclideanwan0.7	89.843	0.830	0.104	2	70
CFp	Tanimoto	NaN	0.500	0.200	0	0
CFp	NormalizedEuclidean	NaN	0.500	0.200	0	0
CFp	Tanimotot	1.359	0.588	0.762	2	4758
CFp	Tanimotoa	2.015	0.668	0.673	2	3208
CFp	Euclideant	0.757	0.393	11.489	2	8546
CFp	Euclideann	1.313	0.580	0.550	2	4924
CFp	Euclideana	1.994	0.666	5.568	2	3242
CFp	Euclideanw	2.093	0.674	8.387	2	3088
CFp	Euclideanwan	9.952	0.800	0.217	2	648