Schematic of the LSTM architecture used for source/sink prediction. This approach operates directly on SMILES strings representing all
reactant molecules, and is able to make source/sink predictions using context from the entire set of reactants
Schematic of the LSTM architecture used for source/sink prediction. This approach operates directly on SMILES strings representing all
reactant molecules, and is able to make source/sink predictions using context from the entire set of reactants