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Table 3 The results of McNemar’s two-sided paired tests for the TMC test set with the smallest SYBA AUC (AUC = 0.830)

From: SYBA: Bayesian estimation of synthetic accessibility of organic compounds

 

Adjusted p-value

RF vs. SAScore

0.164

RF vs. SCScore

2 × 10−6

RF vs. SYBA

0.687

SAScore vs. SCScore

1 × 10−8

SAScore vs. SYBA

0.466

SCScore vs. SYBA

2 × 10−6

  1. The optimized threshold values were used (27.7 for SYBA, 0.5 for RF, 3.7 for SAScore, and 4.0 for SCScore). The p-values were adjusted using Benjamini–Hochberg method