RDKit
Open-source cheminformatics and machine learning.
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#include <Target.h>
Public Attributes | |
const ROMol * | Molecule |
Graph | Topology |
MatchTable | AtomMatchTable |
MatchTable | BondMatchTable |
MatchTable RDKit::FMCS::Target::AtomMatchTable |
MatchTable RDKit::FMCS::Target::BondMatchTable |