Pretraining a foundation model for small-molecule natural products
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Y Ding, B Qiang, S Li, Y Zhou, J Yu, Q Li…
Nature Machine …, 2026
nature.com
Natural products, as metabolites from microorganisms, animals or plants, exhibit diverse biological activities, making them crucial for drug discovery. Nowadays, existing deep-learning methods for natural products research primarily rely on supervised learning approaches designed for specific downstream tasks. However, such one-model-for-a-task paradigm often lacks generalizability and leaves substantial room for performance improvement. Additionally, existing molecular characterization methods are not well-suited …

