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RDKit
Open-source cheminformatics and machine learning.
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RDKIT_CHEMREACTIONS_EXPORT RWMOL_SPTR RDKit::ReactionRunnerUtils::convertTemplateToMol | ( | const ROMOL_SPTR | prodTemplateSptr | ) |
RDKIT_CHEMREACTIONS_EXPORT MOL_SPTR_VECT RDKit::ReactionRunnerUtils::generateOneProductSet | ( | const ChemicalReaction & | rxn, |
const MOL_SPTR_VECT & | reactants, | ||
const std::vector< MatchVectType > & | reactantsMatch | ||
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