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Fig. 7 | Journal of Cheminformatics

Fig. 7

From: Extended study on atomic featurization in graph neural networks for molecular property prediction

Fig. 7

Distributions of absent-important ratios (top) and present-ignored ratios for each feature group (bottom). Absent features are consistently ignored while present features are typically important but show greater variability. Charge is often ignored even when present while the other features are used more frequently. Dashed lines show first quartile, median and third quartile

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