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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 4.

Negative and positive predictive values 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
PPV NPV PPV NPV PPV NPV
2AM9 64.4 91.1 34.7 93.2 17.8 94.6
2AX9 48.0 90.8 27.7 92.7 16.8 94.1
2PNU 42.1 90.3 29.5 92.5 22.3 95.1
3B66 33.1 90.3 27.1 92.5 18.5 94.4
3L3X 58.8 91.0 36.5 93.2 19.3 94.9
3RLJ 29.1 90.0 27.0 92.3 18.7 94.3
5CJ6 60.0 90.8 31.7 92.9 16.9 94.0
4QL8 47.5 90.7 34.3 93.0 19.8 94.8
2HVC 60.0 90.9 39.3 93.3 20.2 95.0