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Updated: Feb 20, 2026

High-throughput Identification of Synergistic Drug Combinations by the Overlap2 Method
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Published on: May 21, 2018

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分子指紋による薬物相互作用の予測におけるモデルの過度に複雑さを解決する

Manel Gil-Sorribes1, Alexis Molina2

  • 1Nostrum Biodiscovery, Barcelona, 08029, Spain.

Journal of cheminformatics
|February 19, 2026
PubMed
まとめ

薬物相互作用を予測することは極めて重要です. モルガン指紋 (MFP) のような単純な分子表現は,多くのベンチマークで複雑なモデルに匹敵し,または超え,より良いデータセットと評価が薬物安全性研究の鍵であることを示唆しています.

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