Author

Jie Ouyang

2 papers indexed here

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Open access Oct 2026

Interpretable Machine-Learning Prediction of PPCP Adsorption by Metal–Organic Frameworks Using Different Molecular Fingerprints

Pharmaceuticals and personal care products (PPCPs) are continuously introduced into aquatic environments, raising concerns about potential health risks from long-term exposure. Metal-organic frameworks (MOFs), owing to their abundant adsorption sites and tunable pore structures, show considerable potential for PPCP rem...

He-Lu Liu, Xiao-Liang Liu, Fang Tao et al. · Separations · 0 citations

Aug 2026

Integrating Network Toxicology and Molecular Dynamics Simulations to Compare the Neuroendocrine Disruption Mechanisms of Six Phthalate Esters.

Phthalate esters (PAEs) are environmental pollutants with potential neuroendocrine effects, yet systematic comparisons across congeners remain scarce. We employed electrostatic potential analysis (ESP), network toxicology, molecular docking, and molecular dynamics with MM-PBSA (Molecular Mechanics Poisson-Boltzmann Sur...

Yilin Guan, Yue Wang, Gengxin Bao et al. · Environmental Toxicology and... · 0 citations