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. 2015 Oct 2;20(10):18107–18127. doi: 10.3390/molecules201018107

Table 6.

Retrieval results of top 1% and 5% for MDDR-DS1 dataset.

Activity Index SQB (Complex) Tech. 1 SQB (Complex) Tech. 2 SQB (Complex) Tech. 3 SQB (Real) TAN SQB (Complex) Tech. 1 SQB (Complex) Tech. 2 SQB (Complex) Tech. 3 SQB (Real) TAN
1% 5%
31420 72.18 72.44 73.73 70.03 69.69 87.75 87.24 87.22 84.03 83.49
71523 26.33 25.41 26.84 25.58 25.94 60.16 48.48 48.7 48.65 48.92
37110 18.33 22.09 24.73 9 9.63 39.81 45.77 45.62 19.56 21.01
31432 41.61 37.2 36.66 37.34 35.82 82 70.57 70.44 76.48 74.29
42731 19.06 20.49 21.17 17.34 17.77 28.77 24.58 24.35 28.19 29.68
06233 12.45 12.26 12.49 10.75 13.87 20.96 19.04 20.04 21.04 27.68
06245 7.18 6.37 6.03 6.03 6.51 15.39 13.99 13.72 13.63 16.54
07701 10.33 10.91 11.35 8.25 8.63 26.9 25.41 26.73 21.85 24.09
06235 10.51 10.9 10.15 9.14 9.71 22.47 23.72 22.81 19.13 20.06
78374 12.46 11.77 13.08 13.65 13.69 20.95 20.73 19.56 20.55 20.51
78331 6.08 6.54 5.92 5.78 7.17 10.31 11.48 11.37 13.1 16.2
Mean 21.50 21.48 22.01 19.35 19.85 37.77 35.54 35.50 33.29 34.77
Shaded cells 2 1 5 0 3 4 2 0 0 4