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Fig. 5 | Journal of Cheminformatics

Fig. 5

From: LEADD: Lamarckian evolutionary algorithm for de novo drug design

Fig. 5

MBPM constructed to query whether a hypothetical fragment with a given set of connectors (left) is compatible with a combination of fragments (right). Black and orange edges represent compatibility relationships. The solution to the MBPM (i.e. the matching) is shown as the orange highlighted edges. Since the cardinality of the matching is equal to the number of flanking fragments our hypothetical fragment is compatible

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