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Updated: Feb 20, 2026

High-throughput Identification of Synergistic Drug Combinations by the Overlap2 Method
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用分子指纹来解决药物相互作用预测中的模型过度复杂性

Manel Gil-Sorribes1, Alexis Molina2

  • 1Nostrum Biodiscovery, Barcelona, 08029, Spain.

Journal of cheminformatics
|February 19, 2026
PubMed
概括

预测药物相互作用至关重要. 像摩根指纹 (MFP) 这样的简单分子表示在许多基准上与复杂模型相匹配或超过,这表明更好的数据集和评估是药物安全研究的关键.

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