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Updated: Sep 8, 2025

Achieving Efficient Fragment Screening at XChem Facility at Diamond Light Source
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SCORCH2:高濃縮相互作用ベースの仮想スクリーニングのための一般化された異質なコンセンサスモデル

Lin Chen1, Vincent Blay2, Pedro J Ballester3

  • 1Institute for Quantitative Biology, Biochemistry and Biotechnology, University of Edinburgh, Edinburgh, EH9 3BF, UK.

Advanced science (Weinheim, Baden-Wurttemberg, Germany)
|August 20, 2025
PubMed
まとめ

SCORCH2は新しい機械学習フレームワークで 薬剤発見のための仮想スクリーニングを 予測の正確性と解釈性を向上させることで改善します 治療開発過程を簡素化し 新しい標的となる化合物を 効果的に特定します

キーワード:
薬物の発見機械学習分子相互作用仮想スクリーニング

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