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Fig. 5 | Journal of Cheminformatics

Fig. 5

From: The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching

Fig. 5

The improved structure diagram generation has improved code to solve overlap. The original SDG code used general heuristics (left) and the OverlapResolver would fine tune the layout to ensure atoms would not be placed at the same location (middle). The new SDG algorithm is able to make more rigorous changes, making the final output must more pleasing (right)

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