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Fig. 4 | Journal of Cheminformatics

Fig. 4

From: “Molecular Anatomy”: a new multi-dimensional hierarchical scaffold analysis tool

Fig. 4

Augmented scaffold rules to identify the longest atom path: in the first step, all terminal non carbon atoms with a bond order equal to 1 are removed, in the second step the longest carbon chain ending with a carbon atom is identified. Three examples explain some possible cases (a) three different paths can be identified and the longest is retained (the first); b three paths can be identified two of them are the longest with the same length and the first identified is retained; c only one path can be identified

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