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Table 2 The performance of classification models for the manually curated TMC test set

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

Model AUC Acc SN SP Threshold
Default threshold
SYBA 0.903 0.844 0.913 0.775 0.0
SAScore 0.865 0.617 0.934 0.300 6.0
RF 0.875 0.819 0.863 0.775 0.5
Optimized threshold
SYBA 0.903 0.871 0.902 0.840 19.1
SAScore 0.865 0.859 0.799 0.919 3.9
SCScore 0.528 0.601 0.707 0.496 3.7
RF 0.875 0.842 0.855 0.828 0.6
  1. Quality measures AUC, Acc, SN and SP, as well as thresholds, are reported as their average values over 30 TMC instances