Penzotti Julie E, Landrum Gregory A, Putta Santosh
Rational Discovery LLC, 555 Bryant Street #467, Palo Alto, CA 94301, USA.
Curr Opin Drug Discov Devel. 2004 Jan;7(1):49-61.
This review discusses the current challenges facing researchers developing computational models to predict absorption, distribution, metabolism, excretion and toxicity (ADMET) for early drug discovery. The strengths and weaknesses of different modeling approaches are reviewed and a survey of recent strategies to model several key ADMET parameters, including intestinal permeability, blood-brain barrier penetration, metabolism, bioavailability and drug toxicities, is presented.
本综述讨论了研究人员在开发用于早期药物发现的预测吸收、分布、代谢、排泄和毒性（ADMET）的计算模型时面临的当前挑战。回顾了不同建模方法的优缺点，并介绍了对几个关键ADMET参数进行建模的近期策略，包括肠道通透性、血脑屏障穿透性、代谢、生物利用度和药物毒性。
