AINeutralarXiv – CS AI · 9h ago6/10
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Pretraining a Foundation Model for Small-Molecule Natural Products
Researchers have developed NaFM, a foundation model pretrained specifically for natural products using contrastive and masked graph learning objectives. The model achieves state-of-the-art results across drug discovery tasks including taxonomy classification and virtual screening, addressing limitations in existing deep learning approaches that lack generalizability for natural product research.