Fig. 1From: LEADD: Lamarckian evolutionary algorithm for de novo drug designFragmentation example of two molecules. The input molecules (A) are assigned MMFF94 atom types (B). Ring systems and all possible subgraphs from the remaining linkers and side chains of a given size (in this example s ϵ [0 .. 1]) are extracted as fragments (C). The bonds that were cut to extract fragments become connectors, and are represented as three-membered tuples in parenthesis. The number in bold below each fragment is its IDBack to article page