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Wenjie Du

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Conference Open access Sep 2026

MGRec: Structure-Grounded Medication Recommendation via Condition-Aware Molecular Representation Learning

MGRec is a framework that shifts learning from discrete prescription prediction to condition-aware modeling in a continuous molecular representation space and introduces a DDI (drug-drug interaction)-guided latent regularization to integrate drug interaction knowledge at the representation level to improve clinical saf...

Jin-Ke Feng, Wenjie Du · 0 citations
Jun 2026

Towards Generalizable and Evidential Nuclear Magnetic Resonance-Based Molecular Structure Elucidation via Large Language Model Agent

Nuclear Magnetic Resonance spectroscopy is the gold standard for molecular structure elucidation, yet interpreting complex spectra for unknown molecules remains a bottleneck reliant on human expertise, so NMRAgent establishes a new paradigm for interpretable AI in analytical chemistry.

Zheng Fang, Yang Chen, Yusen Tan et al. · 0 citations

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