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. Author manuscript; available in PMC: 2022 Feb 22.
Published in final edited form as: J Chem Inf Model. 2021 Jan 25;61(2):699–714. doi: 10.1021/acs.jcim.0c00598

Table 1.

Adj. LogAUC for DOCK3.7 Scoring Coefficients over 43 Targetsa

0.3ES 0.5ES 0.7ES 1.0ES
0.3LD 16.3 (11, 7, 25) 13.89 (8, 10, 25) 11.85 (6, 8, 29) 9.95 (6, 8, 29)
0.5LD 19.3 (17, 9, 17) 17.99 (12, 11, 20) 15.87 (8, 14, 21) 12.71 (4, 14, 25)
0.7LD 20.17 (17, 14, 12) 19.88 (17, 19, 7) 18.72 (9, 22, 12) 16.05 (4, 17, 22)
1.0LD 19.95 (15, 15, 13) 20.31 (17, 18, 8) 20.1 (16, 21, 6) 19.19
a

Values outside the parentheses are the average adjusted log AUC values, while those within the parentheses refer to those targets that improved by 1 adjusted log AUC value, stayed within ±1 log AUC, and diminished by 1 adjusted log AUC value vs the standard scoring function (1.0ES+1.0vdW+1.0LD) (see Table S1 for full results).