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Sponsored Artificial Intelligence: A Modern Approach, Global Edition Artificial Intelligence: A Modern Approach, Global Edition

Author

Weiwei Huan

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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

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