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Author Spotlight: Streamlining Protein Target Prediction and Validation via Molecular Docking and CETSA
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Molecular docking-QSAR-Kronecker-regularized least squares-based multiple machine learning for assessment and

Lihui Zhao1, Zixuan Zhang2, Hailei Su2

  • 1State Key Laboratory of Environmental Criteria and Risk Assessment, Chinese Research Academy of Environmental Sciences, Beijing 100012, China; College of geoexploration science and technology, Jilin University, Changchun 130026, China.

Journal of Hazardous Materials
|April 3, 2025
PubMed
Abstract

Keywords:
Kron-RLS modelMolecular dockingPFASProteinQSAR model

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