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

Table 2. Pose Classification Compared to Other Methods Across Different Train/Test Splitsa.

  ROC AUC (PR AUC)
method Uniprot seqsim70 seqsim50
ANPR 0.93 (0.47) 0.90 (0.45) 0.89 (0.39)
smina docking 0.82 0.82 0.81
Cornell et al.58 0.86    
Ragoza et al.60 0.815c    
Lim et al.28 0.94b    
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.

b

In contrast to other methods in this table, the model of Lim et al. was trained simultaneously on poses and activity.

c

Three-fold cross-validation on 90% sequence identity.