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Author

Lilai Shen

2 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

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