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Structures prioritized by DeepMet also demonstrated a higher degree of structural similarity to the held-out metabolites than isobaric known metabolites, reflecting the ability of the model to generalize beyond the training set into unseen chemical space

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The amphiphilic property of the selenium-platinum coordination molecules facilitates their assembly into nanoparticles and prolongs the circulation time of the drug in the bloodstream, which is important for in vivo drug delivery