Table 4.

AUC of the ROC curve obtained with each scoring method for individual targets (v: AutoDock Vina, c: ChemScore, d: DrugScore, and a: AutoDock 4.2; sorted based on AutoDock Vina performance).

	v	c	d	a	vcda	vcd	vda	vca	cda	vc	vd	va	cd	ca	da
WEE1	0.949	0.828	0.841	0.555	0.917	0.909	0.927	0.915	0.853	0.916	0.930	0.910	0.852	0.776	0.800
FA7	0.917	0.890	0.876	0.878	0.929	0.936	0.926	0.927	0.909	0.935	0.929	0.920	0.908	0.897	0.898
MAPK2	0.886	0.775	0.776	0.717	0.877	0.850	0.877	0.888	0.848	0.861	0.849	0.891	0.809	0.826	0.823
KIF11	0.858	0.845	0.806	0.840	0.860	0.860	0.856	0.865	0.846	0.867	0.852	0.864	0.842	0.849	0.835
TYSY	0.847	0.607	0.698	0.770	0.781	0.768	0.820	0.778	0.726	0.760	0.822	0.829	0.675	0.710	0.762
PYRD	0.826	0.749	0.768	0.730	0.791	0.807	0.795	0.784	0.767	0.803	0.817	0.789	0.778	0.747	0.763
PUR2	0.819	0.393	0.856	0.691	0.749	0.762	0.827	0.667	0.702	0.641	0.869	0.777	0.696	0.557	0.801
MK01	0.806	0.767	0.632	0.629	0.748	0.777	0.719	0.774	0.702	0.816	0.747	0.748	0.726	0.721	0.639
AKT2	0.778	0.744	0.699	0.803	0.801	0.788	0.810	0.794	0.795	0.776	0.786	0.806	0.765	0.785	0.799
THB	0.777	0.484	0.490	0.578	0.632	0.630	0.665	0.700	0.504	0.693	0.670	0.777	0.480	0.523	0.510
MK10	0.746	0.701	0.653	0.598	0.694	0.721	0.682	0.697	0.666	0.737	0.716	0.684	0.692	0.659	0.633
FKB1A	0.693	0.755	0.657	0.668	0.730	0.745	0.697	0.734	0.724	0.755	0.702	0.690	0.738	0.736	0.676
INHA	0.688	0.680	0.715	0.693	0.719	0.722	0.719	0.708	0.712	0.705	0.723	0.702	0.712	0.696	0.714
KITH	0.688	0.532	0.699	0.621	0.646	0.655	0.667	0.628	0.632	0.631	0.692	0.654	0.636	0.592	0.658
SAHH	0.677	0.290	0.708	0.615	0.590	0.575	0.719	0.516	0.539	0.478	0.726	0.685	0.512	0.391	0.694
ROCK1	0.666	0.660	0.594	0.654	0.668	0.662	0.659	0.678	0.657	0.680	0.642	0.674	0.645	0.666	0.641
CXCR4	0.661	0.726	0.604	0.723	0.706	0.687	0.685	0.729	0.706	0.718	0.640	0.712	0.682	0.735	0.681
XIAP	0.632	0.676	0.789	0.678	0.724	0.739	0.722	0.681	0.741	0.669	0.741	0.668	0.772	0.694	0.742
RENI	0.620	0.686	0.781	0.588	0.694	0.733	0.688	0.638	0.707	0.664	0.742	0.605	0.759	0.642	0.703
PLK1	0.619	0.628	0.668	0.548	0.628	0.653	0.625	0.605	0.625	0.629	0.659	0.588	0.659	0.592	0.620
CP2C9	0.613	0.604	0.552	0.563	0.597	0.607	0.588	0.605	0.582	0.622	0.593	0.597	0.588	0.587	0.564
PA2GA	0.607	0.795	0.692	0.814	0.791	0.760	0.768	0.783	0.812	0.746	0.696	0.744	0.771	0.821	0.801
PYGM	0.594	0.597	0.561	0.446	0.561	0.597	0.543	0.555	0.540	0.608	0.583	0.530	0.588	0.522	0.502
NOS1	0.570	0.551	0.506	0.492	0.545	0.545	0.533	0.570	0.533	0.570	0.533	0.569	0.533	0.551	0.506
DEF	0.541	0.262	0.632	0.578	0.502	0.465	0.602	0.456	0.485	0.384	0.602	0.569	0.427	0.415	0.621
GRIK1	0.538	0.464	0.492	0.442	0.483	0.500	0.493	0.480	0.460	0.503	0.518	0.495	0.480	0.439	0.467
NRAM	0.526	0.522	0.608	0.443	0.537	0.574	0.537	0.496	0.537	0.530	0.581	0.478	0.589	0.481	0.536
COMT	0.525	0.371	0.363	0.736	0.575	0.398	0.645	0.646	0.593	0.431	0.439	0.750	0.340	0.688	0.690
ADA	0.520	0.377	0.500	0.435	0.438	0.444	0.479	0.428	0.417	0.430	0.509	0.474	0.416	0.395	0.459
HX4	0.515	0.552	0.590	0.534	0.550	0.554	0.549	0.533	0.563	0.532	0.555	0.524	0.573	0.545	0.566
MCR	0.498	0.656	0.639	0.563	0.628	0.634	0.571	0.589	0.691	0.584	0.571	0.495	0.699	0.665	0.634
GLCM	0.486	0.471	0.548	0.541	0.520	0.506	0.536	0.506	0.528	0.484	0.517	0.520	0.515	0.507	0.559
HS90A	0.250	0.321	0.393	0.369	0.308	0.290	0.295	0.316	0.346	0.270	0.296	0.294	0.338	0.310	0.378