Group testing with blockers and synergism
Group testing with blockers and synergism
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DOI：
10.1198/016214501750333009
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发表时间：
2001-03-01
影响因子：
3.7
通讯作者：
Young, SS
中科院分区：
文献类型：
--
作者：
Xie, M;Tatsuoka, K;Young, SS
发现和开发一种新药可能需要数亿美元。制药公司已经常规地使用组测试方法作为有效的高通量筛选技术之一，以在集合或样品中搜索"先导"化合物。成千上万的化合物。先导化合物可以被修饰以产生新的有效分子，最终可能导致新药。本文开发的模型和估计程序，以获得定量信息的数据在这样的应用。它调查组测试程序和研究成本效率时，Dorfman采用的标准假设，即测试项目的行为相互独立，被违反。调查的重点是，但不限于，正方形阵列池的方法，并通过模拟和药物发现数据集从Glare Wellcome公司开发的方法进行说明。
Discovery and development of a new drug can cost hundreds of millions of dollars. Pharmaceutical companies have used group testing methodology routinely as one of the efficient high throughput screening techniques to search for "lead" compounds among collections or. hundreds of thousands of chemical compounds. The lead compounds can be modified to produce new and effective molecules, which eventually may lead to new drugs. This article develops models and estimation procedures to obtain quantitative information from data in such applications. It investigates group testing procedures and studies cost efficiency when the standard assumption adopted by Dorfman, that tested items act independently of one another, is violated. The investigation is focused on, but not limited to, the square array pooling method, and the methodologies developed are illustrated through simulations and a drug discovery dataset from Glare Wellcome Inc.