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Updated: Jun 14, 2025

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分子指纹可以在大型虚拟查中识别各种活性药物吗? (没有) (没有)

Vishwesh Venkatraman1, Jeremiah Gaiser2, Daphne Demekas3

  • 1Department of Chemistry, Norwegian University of Science and Technology, 7034 Trondheim, Norway.

Pharmaceuticals (Basel, Switzerland)
|August 29, 2024
PubMed
概括

分子指纹在预测药物活性方面具有有限的价值. 需要新的计算方法来有效地从大型分子图书馆中识别强效药物候选者.

关键词:
药物查对药物进行查.分子指纹,分子指纹.寻找相似性的搜索

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