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. Author manuscript; available in PMC: 2019 Aug 13.
Published in final edited form as: J Chem Inf Model. 2017 Oct 26;57(11):2874–2884. doi: 10.1021/acs.jcim.7b00420

Table 5.

Positive (+LR) and the negative (−LR) likelihood ratio and the Balanced Classification Rate (BCR) computed at three SE-thresholds (SE = 0.25, SE = 0.50 and SE = 0.75).

PDB
CODE
SE=0.25 SE=0.50 SE=0.75
+LR −LR BCR +LR −LR BCR +LR −LR BCR
2AM9 14.33 0.75 0.17 4.11 0.56 0.43 1.68 0.44 0.52
2AX9 6.97 0.77 0.18 2.92 0.60 0.45 1.53 0.48 0.47
2PNU 5.38 0.77 0.18 3.06 0.59 0.45 2.10 0.38 0.62
3B66 3.69 0.79 0.19 2.76 0.61 0.45 1.69 0.44 0.52
3L3X 11.09 0.76 0.17 4.39 0.56 0.43 1.83 0.42 0.56
3RLJ 2.99 0.81 0.19 2.70 0.61 0.46 1.68 0.44 0.52
5CJ6 11.04 0.76 0.17 3.48 0.58 0.44 1.53 0.48 0.47
4QL8 6.86 0.77 0.17 3.94 0.56 0.43 1.86 0.41 0.56
2HVC 11.55 0.76 0.17 4.93 0.55 0.43 1.92 0.40 0.58