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0111 · Dec 202219922001200920172026
1 result for MoleculeSTM

MoleculeSTM learns from molecule structures and texts for better drug design.

problem Lack of integration between chemical structures and textual knowledge in AI drug discovery.
method Jointly learns chemical structures and texts via contrastive learning, using a large dataset.
result MoleculeSTM achieves state-of-the-art performance in zero-shot tasks like structure-text retrieval and molecule editing.