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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

Zi-Yu Chen

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3 papers indexed here

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Oct 2026

Scalable and Interpretable Chemical Neurotoxicity Prediction via Multi-Modal Gated Fusion and ChemBERTa

Chemical exposure causes adverse neurological outcomes, highlighting the need for high-throughput screening of chemical neurotoxicity. However, existing computational methods rely on single-modality inputs and lack complementary molecular information to sufficiently enhance the accuracy and efficiency of neurotoxicit...

Li-Lai Shen, Zi-Yu Chen, Yi-Zhou Huang et al. · 0 citations
Aug 2026

Qualitative and Quantitative Prediction of Blood-Brain Barrier Permeability of Chemicals via an SE(3)-Transformer-Based Model with LLM-Assisted Explanation.

A multifeature fusion framework for identifying and quantifying the BBB permeability to neurotoxic chemicals, which leverages an SE(3)-Transformer to encode the three-dimensional molecular geometry and a deep neural network to encode collision cross-section and fingerprint.

Li-Lai Shen, Zi-Yu Chen, Weiwei Huan et al. · 0 citations
Aug 2026

Enhancing Machine-Learned Electrostatic Models with Linear Response Theory for Multiscale Simulations in Enzymes.

A physics-based framework for the relationship between the electrostatic energy and the electrostatic field generated by the MM environment, MIREANN exhibits powerful transferability in reproducing the free energy barriers predicted by QM/MM-MD with errors less than 0.5 kcal mol–1 for various enzyme variants without th...

Xinhu Sha, Xuehui Guo, Zi-Yu Chen et al. · 0 citations

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