Forward Reaction Prediction

Compare predictions from the same model architecture trained on two different datasets – De Novo Chem’s SaguaroChem dataset, and the USPTO Stereo dataset.

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Procedure Retrosynthesis

Generate plausible synthetic procedures given a target molecule.


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Procedure & Condition Prediction

Generate a reaction procedure including reagents, solvents, and workup given reactants and products.

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Purification Conditions Prediction

Generate plausible mobile-phases for column chromatography and solvent systems for recrystallization given a reaction SMILES.


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