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Sep 2026

Cost-effective colour feature-based rapid prediction of secondary metabolites in Dendrobium nobile with insights from MALDI-MSI and transcriptomic analysis.

A novel rapid assessment approach was developed by integrating colour features with a stacked ensemble machine learning model, which demonstrated superior efficiency and cost-effectiveness compared with traditional methods and revealed the potential association mechanism among colours, metabolites, and genes of D. nobi...

Guang-Ying Du, Jin-Yue Wu, Jiang Chen et al. · 0 citations
Preprint Aug 2026

UBio-MolFM: Enabling Biomolecular Dynamics at DFT Accuracy and $10^5$ Atoms with One Untuned Potential

Ion conduction, membrane permeation and metal recognition hinge on electronic structure, yet first-principles simulation reaches only hundreds of atoms. UBio-MolFM lifts that ceiling: a foundation model trained on 160 million quantum-chemical labels, its receptive field spanning non-covalent distances at near-linear co...

Lin Huang, Frank Peng, Jiajun Cheng et al. · 0 citations

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