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. 2022 Mar 2;62(5):1178–1189. doi: 10.1021/acs.jcim.1c01250

Table 3. Cross-Docking Pose Ranking/Classification Compared to smina Dockinga.

  ROC AUC (PR AUC)
method Uniprot seqsim70 seqsim50
ANPR 0.91 (0.46) 0.90 (0.45) 0.86 (0.36)
smina docking 0.78 0.79 0.78
a

Baseline random performance is 0.5 for ROC AUC and 0.05 for PR AUC, reflecting the presence of 5% true positive good poses in the test set.