Author

Siwei Chen

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Review Aug 2026

AI-powered medicinal chemistry and translational drug development.

This review examines how machine learning, deep learning, natural language processing (NLP), and generative modeling are being applied across medicinal chemistry and drug development, and highlights how multimodal data fusion, predictive modeling, and human-AI collaborative frameworks are supporting more informed decisions in rational drug design.

Kaicheng U, Sophia Meixuan Zhang, Ziyu Yu et al. · Chemical Society Reviews · 0 citations

Preprint Jul 2026

Quantum Sampling Architecture for Protein Structure Reconstruction on Utility-Scale Hardware

QSAD is presented, a quantum-classical framework that reformulates peptide structure prediction as amino-acid-level Hamiltonian sampling and replaces iterative optimization with non-iterative Hamiltonian evolution and establishes coarse-grained quantum sampling as a practical computational path for structure prediction in regimes where data-driven methods lack sufficient signal.

Yuqi Zhang, Bo Fang, Yuxin Yang et al. · 1 citation