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RDKit
Open-source cheminformatics and machine learning.
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Go to the source code of this file.
Namespaces | |
RDKit | |
Includes a bunch of functionality for handling Atom and Bond queries. | |
Functions | |
std::vector< MOL_SPTR_VECT > | RDKit::run_Reactants (const ChemicalReaction &rxn, const MOL_SPTR_VECT &reactants) |
Runs the reaction on a set of reactants. More... | |