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Fig. 3 | Journal of Cheminformatics

Fig. 3

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

Fig. 3

Chromosomal representation of a molecule created through combination of fragments in Fig. 1 using the lax compatibility definition. a Chromosomal meta-graph. Numbered vertices correspond to fragment IDs. Numbers between parenthesis represent connector tuples. Bonds between connectors are represented as rectangles. b The chromosome with fragments shown as their molecular graphs. c Translation of the chromosome to the molecule seen by the user

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