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Sponsored AI Networking Cookbook: Practical recipes for AI-assisted network automation and development AI Networking Cookbook: Practical recipes for AI-assisted network automation and development

Author

Dongsheng Cao

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Jul 2026

Toxicological Knowledge-Guided Graph Learning for Interpretable and Generalizable Molecular Toxicity Prediction.

Early identification of toxic liabilities is essential for improving drug safety and reducing attrition. However, structure-based deep learning models often generalize poorly to new chemical scaffolds and provide limited biological mechanistic insight. To address this, we introduce Toxicological Knowledge-guided Graph-...

Yanjing Duan, Woruo Chen, Kun Li et al. · 0 citations
Review Aug 2026

Selective PARP1 inhibitors (2021-2025): patent landscape, structural evolution, and future therapeutic opportunities.

INTRODUCTION Poly(ADP-ribose) polymerase 1 (PARP1) is a key mediator of DNA damage repair and an attractive therapeutic target for homologous recombination-deficient malignancies. The development of selective PARP1 inhibitors has been driven by the need to reduce the hematological toxicities associated with nonselectiv...

Jilong Duan, Yanjing Duan, Dongling Gu et al. · 0 citations
Review Open access 2026

Physics-informed deep learning: A new paradigm for macromolecular recognition and rational protein design

By delineating how physics-based priors synergize with data-driven representation learning, this review provides a comprehensive roadmap for generating physically plausible and thermodynamically stable therapeutics, ultimately accelerating the transition of computationally designed molecules from in silico blueprints t...

Hao-Bo Xie, Hao Wang, Xiao-Jun Yao et al. · 0 citations

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