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通过基于连接体和结构的预测模型预测UGT介导的II期代谢

Ludovica Bono1, Filippo Lunghini2, Emanuela Sabato1

  • 1Dipartimento Di Scienze Farmaceutiche, Università Degli Studi Di Milano, Via Luigi Mangiagalli 25, 20133, Milan, Italy.

Journal of cheminformatics
|October 15, 2025
PubMed
概括

使用in silico方法预测药物代谢对于药物发现至关重要. 这项研究结合了基于联体和基于结构的方法来研究UDP-glucuronosyltransferase (UGT) 代谢,发现整合这两种方法提高了预测准确性.

关键词:
药物代谢药物代谢葡萄糖的化机器学习是机器学习.预测新陈代谢的时间美国UGT公司

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