Fig. 7: The correlation of the average attributions between hERG and ESOL’s functional groups. | Nature Communications

Fig. 7: The correlation of the average attributions between hERG and ESOL’s functional groups.

From: Chemistry-intuitive explanation of graph neural networks for molecular property prediction with substructure masking

Fig. 7

The source data can be found in Supplementary Data 2. The regression line with the 95% confidence interval (the blue shading) and the spearman rank correlation test are used to describe the correlation of the average attributions; The two-sided p-value indicates the significance of the correlation.

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