. Author manuscript; available in PMC: 2020 Jun 1.

Published in final edited form as: Chem Biol Drug Des. 2019 Jan 2;93(6):1105–1116. doi: 10.1111/cbdd.13453

Table 1.

Prediction accuracy. The number of correctly selected ligand-protein pairs and the prediction accuracy of the four different selection methods are shown. The first column lists the results of the Astex dataset, in which 85 ligands were docked to every 85 proteins. The second column lists the results for the DUD dataset, in which 279 ligands were docked to 8 proteins, and the third lists the results for the DUD-E, in which 2,040 ligands were docked to 102 proteins.

Number of hits	85 × 85	279 × 8	2040 × 102
Number of hits	Astex	DUD	DUD-E
Score	23 (27.1%)	121 (43.4%)	248 (12.2%)
Receptor-average Z-score	34 (40.0%)	111 (39.8%)	368 (18.1%)
Ligand-average Z-score	23 (27.1%)	121 (43.4%)	248 (12.2%)
Combined Z-score	35 (41.2%)	131 (47.0%)	376 (18.5%)