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Fig. 3 | Journal of Cheminformatics

Fig. 3

From: SMILES-based deep generative scaffold decorator for de-novo drug design

Fig. 3

Plots describing the resulting set of 137,061 scaffold-decorations tuples obtained from slicing a set of 4211 DRD2 modulators (see “Methods”). a The number of decorations per scaffold in the dataset ordered from right to left (notice that the y-axis is in logarithmic scale). b Histogram of the number of attachment points of the entire set. c The number of times each decoration appears in the dataset ordered from right to left (notice that the y-axis is in logarithmic scale). d Histogram of the number of acyclic bonds per molecule

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