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Fig. 3 | Journal of Cheminformatics

Fig. 3

From: Uncertain of uncertainties? A comparison of uncertainty quantification metrics for chemical data sets

Fig. 3

a Same as Fig. 2 expect that errors sampled from \(\sigma < 5\) are scaled by 1.25 making the set of errors 25% too high compared to the uncertainties, \(\sigma\). Similarly the errors for \(\sigma > 5\) are scaled with a factor or 0.8 making these errors 20% too low based on their uncertainties. b The |Z| distribution for \(\sigma < 5\) no longer follows a normal distribution with a standard deviation 1. This half of the |Z|-distribution has a miscalibration area of 0.07. c Similarly the |Z|-distribution for \(\sigma > 5\) no longer follows a normal distribution resulting in a miscalibration area of 0.07 d However, the total |Z|-distribution still follows a normal distribution quite well with a close to zero miscalibration area due to cancellation of error between the problematic behavior of the uncertainties for \(\sigma < 5\) and \(\sigma > 5\)

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