QSAR

Davy Guan1, Raymond Lui1, Slade T Mattthews1

  • 1Computational Pharmacology & Toxicology Laboratory, Discipline of Pharmacology, Sydney Pharmacy School, Faculty of Medicine and Health, The University of Sydney, NSW 2006, Australia.

PubMed
概括

本研究引入了一种低成本的量子力学方法 (Hf-3c) 来改进用于预测皮肤敏感性的定量结构活动关系 (QSAR) 模型. 改进的模型显示了各种体外和体外测试的高准确性.

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