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Sponsored Design Multi-Agent AI Systems Using MCP and A2A: Engineer your own Pyt Design Multi-Agent AI Systems Using MCP and A2A: Engineer your own Pyt

Author

You-Chao Deng

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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
#machine learning Open access Nov 2025

A fused deep learning approach to transform drug repositioning

A deep learning framework that integrates knowledge graph embedding and pre-training strategies to overcome the intractable cold start issue, achieving superior performance and interpretability in drug repurposing is introduced.

Kun Li, Jiacai Yi, Qing Ye et al. · 1 citation

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