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基于量子力学和机器学习,预测I期和II期新陈代谢的路径

Mario Öeren1, Peter A Hunt1, Charlotte E Wharrick1

  • 1Optibrium Limited, Cambridge Innovation Park, Cambridge, UK.

Xenobiotica; the fate of foreign compounds in biological systems
|November 15, 2023
PubMed
概括

预测药物代谢对于药物开发至关重要. 这项研究引入了一种新的模型,可以准确地识别关键的药物代谢酶,并预测代谢路径,提高候选药物的成功率.

关键词:
阿尔德氧化酶的使用方法在UDP-glucuronosyl转移酶中.细胞染色体P450的使用.含有黄素的单氧基因酶.代谢 代谢 代谢 代谢路径路径路径路径路径第一个阶段I阶段.第二阶段第二阶段.路线路线路的路线.硫酸转移酶的使用方法

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