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Updated: Sep 10, 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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Ab Initio 精度 薬物のような分子のためのニューラルネットワークの潜在能力

Manyi Yang1, Duo Zhang2,3, Xinyan Wang3

  • 1The Institute of Green Chemistry and Engineering, Nanjing University, Suzhou, Jiangsu 215163, China.

Research (Washington, D.C.)
|August 27, 2025
PubMed
まとめ

この研究は,薬剤設計における原子相互作用を正確に計算するための新しいニューラルネットワークの可能性を紹介しています. この機械学習モデルは 薬のような分子の密度関数理論に 匹敵する高い精度を達成します

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