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Fig. 9 | Journal of Cheminformatics

Fig. 9

From: Nonadditivity in public and inhouse data: implications for drug design

Fig. 9

a Theoretical NA distribution expected from an experimental uncertainty of 0.5 log units (grey line), and an actual NA distribution for CHEMBL1794483 assay (blue), density = normalized count so that the area sums to 1. b The average additivity shifts per compound and the standard deviation of the shift for the CHEMBL1794483 assay. Black lines show the confidence interval (CI = 95%) indicating the area where the compounds should appear in case of additivity given the selected threshold of experimental uncertainty (0.5 log units in this case)

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