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Updated: May 14, 2025

Author Spotlight: Streamlining Protein Target Prediction and Validation via Molecular Docking and CETSA
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Author Spotlight: Streamlining Protein Target Prediction and Validation via Molecular Docking and CETSA

Published on: February 23, 2024

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监督机器学习和分子对接建模以识别潜在的抗帕金森症代理

Adib Ghaleb1, Adnane Aouidate2, Mohammed Aarjane3

  • 1Laboratory of Analytical and Molecular Chemistry/LCAM, Multidisciplinary Faculty, Cadi Ayyad University, Safi, Morocco.

Journal of molecular graphics & modelling
|May 12, 2025
PubMed
概括

这项研究开发了机器学习模型,以寻找新的抗帕金森症药物. 具有RDkit功能的XGBoost模型显示出确定帕金森病治疗的潜在腺抑制剂的前景.

关键词:
切姆布尔,这是一个很好的例子.机器学习 机器学习分子对接是分子对接.帕金森 帕金森症候群研发和开发我们的工具.

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