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Fig. 2 | Journal of Cheminformatics

Fig. 2

From: Development of an open-source software for isomer enumeration

Fig. 2

Illustrative example of the orderly enumeration algorithm. Top: A step of the filling algorithm for \(\pmb \alpha =\)(C,O,H), \(\pmb \delta = (4,2,1)\), and \(\pmb \lambda =(1,2,2)\) with an intermediate adjacency matrix and the corresponding molecular graph. Bottom: Schematic illustration describing how the algorithm proceeds through the adjacency matrix

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