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Fig. 6 | Journal of Cheminformatics

Fig. 6

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

Fig. 6

Connection-fragment compatibilities of the fragments in Fig. 1 according to (a) the strict compatibility rules and (b) lax compatibility rules, as described in Fig. 2. Fragment weights are omitted for clarity purposes (Additional file 1: Fig. S2). Fragments are stratified according to their cyclicity, and in the case of the strict compatibility definition (a) also according to how many instances (n) of the connection the fragment has. In (b), “e” denotes any ending atom type. Note that in (a) higher strata are subsets of the lower strata, and that (a) is a subset of (b)

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