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DENOPTIM
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Classes | |
class | CuttingRule |
A cutting rule with three SMARTS queries (atom 1, bond, atom2) and options. More... | |
class | Fragmenter |
Tool to create fragments by chopping 2D/3D chemical structures. More... | |
class | FragmenterParameters |
Parameters controlling execution of the fragmenter. More... | |
class | MatchedBond |