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OptADMET:一个基于网络的工具用于基结构修改,以改善化合物的ADMET特性

Jiacai Yi1,2, Shaohua Shi1,3, Li Fu1,4

  • 1Xiangya School of Pharmaceutical Sciences, Central South University, Changsha, China.

Nature protocols
|January 24, 2024
PubMed
概括

OptADMET是一个新的网络平台,通过提供32种吸收,分布,新陈代谢,分泌和毒性 (ADMET) 特性的化学转化规则来帮助药物发现. 它通过预测转换和验证潜在的药物分子,帮助药物化学家优化药物候选物.

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