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[Preprint]. 2024 Feb 27:2024.02.22.581511. [Version 1] doi: 10.1101/2024.02.22.581511

Table 2.

Average EF1% of the divided set based on average 2D dissimilarity of active compounds from the co-crystalized molecule. The numbers in the parentheses are the number of proteins. The best value in each set is highlighted as bold.

Average Dissimilarity PL-PS3 (BWS) PL-PS3 (LCS) AutoDock Vina DOCK6
> 0.80 (5) 18.78 17.20 4.00 8.80
> 0.70 (10) 14.45 14.22 6.81 12.77
> 0.60 (3) 15.00 13.41 5.40 9.52
< 0.60 (7) 10.78 11.35 13.37 12.34