If we designed airplanes like we design drugs…
If we designed airplanes like we design drugs…
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如果我们像设计药物一样设计飞机……
DOI：
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发表时间：
2011
影响因子：
3.5
通讯作者：
W. Woltosz
中科院分区：
文献类型：
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作者：
W. Woltosz
在早期，飞机是与其他用途的零件（自行车，农业设备，纺织品，汽车设备等）组装在一起的。然后由勇敢的设计师试飞，看看设计是否可行，结果往往是灾难性的。今天，飞机、直升机、导弹和火箭都是在计算机上设计的，在任何东西被制造出来之前，都需要迭代大量的设计。直到最近，新的类药物分子几乎总是像早期的飞机一样首先制造出来，然后进行测试，看看它们是否有用（尽管通常不是在创造它们的勇敢科学家身上！）。由此产生的极高的失败率是传奇。本文介绍了一些基于计算机的设计在航空航天工业的发展，并比较它与计算机辅助药物设计的最新进展。制药研究的软件开发在很大程度上是创业性的，只有相对有限的支持，从政府和行业最终用户组织。制药行业在充分认识到模拟和建模的价值以及为开发追赶所需的工具提供资金方面，仍然落后航空航天和其他行业约30年。
In the early days, airplanes were put together with parts designed for other purposes (bicycles, farm equipment, textiles, automotive equipment, etc.). They were then flown by their brave designers to see if the design would work—often with disastrous results. Today, airplanes, helicopters, missiles, and rockets are designed in computers in a process that involves iterating through enormous numbers of designs before anything is made. Until very recently, novel drug-like molecules were nearly always made first like early airplanes, then tested to see if they were any good (although usually not on the brave scientists who created them!). The resulting extremely high failure rate is legendary. This article describes some of the evolution of computer-based design in the aerospace industry and compares it with the progress made to date in computer-aided drug design. Software development for pharmaceutical research has been largely entrepreneurial, with only relatively limited support from government and industry end-user organizations. The pharmaceutical industry is still about 30 years behind aerospace and other industries in fully recognizing the value of simulation and modeling and funding the development of the tools needed to catch up.