Skip to content
Log in
Sponsored Artificial Intelligence: A Modern Approach, Global Edition Artificial Intelligence: A Modern Approach, Global Edition

Author

Zi-Yu Chen

h-index 0 View on Semantic Scholar

We have 2 of 2 papers

We haven’t gathered this author’s papers yet. Follow them and we’ll fetch their work.

Not the right person? Other researchers publish under this name.

Aug 2026

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

The blood-brain barrier (BBB) regulates the entry of chemicals into the central nervous system, and contaminants with high permeability can accumulate in the brain, posing neurotoxicity risks. Given the urgent need for high-throughput neurotoxicity assessment, this study proposes a multifeature fusion framework for ide...

Lilai 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

We use cookies to run the site and, with your consent, for analytics and to show ads. See our Cookie Policy.