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. 2021 Mar 26;37(18):2981–2987. doi: 10.1093/bioinformatics/btab195

Fig. 1.

Fig. 1.

The fragments of an aspirin molecule according to Definition 1. The acyclic single bonds in aspirin are highlighted by red lines. The molecule is first split into basic fragments by breaking all of the acyclic single bonds, then these basic fragments are combined iteratively to form combined fragments