#natural-products News & Analysis

2 articles tagged with #natural-products. AI-curated summaries with sentiment analysis and key takeaways from 50+ sources.

2 articles

AIBullisharXiv – CS AI · Jun 237/10

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A large-scale foundation model enables simulation-to-real adaptation for nuclear magnetic resonance-based molecular structure analysis

Researchers introduced UltraNMR, a foundation model trained on 158 million simulated nuclear magnetic resonance spectra that successfully bridges the gap between simulation and real-world molecular analysis. The model demonstrates state-of-the-art performance on experimental NMR tasks and has been applied to identify previously unknown natural products from Chinese herbal medicines, suggesting large-scale simulation pre-training can enable robust generalization in spectroscopy.

AINeutralarXiv – CS AI · May 116/10

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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.