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Fig. 10 | Journal of Cheminformatics

Fig. 10

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

Fig. 10

SYBA, SAScore and SCScore histograms of ES and HS compounds in the computationally picked TCP test set. The positions of optimal thresholds are shown. SAScore recommended threshold of 6.0 leads to a large number of FP (Additional file 2: Panel S3). If the threshold is moved to its optimal value of 4.5, SAScore specificity increases from 0.317 to 0.994, i.e. by 0.677

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