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Automation of Synthesis in Medicinal Chemistry: Progress and Challenges.
ACS Medicinal Chemistry Letters ( IF 4.2 ) Pub Date : 2020-07-16 , DOI: 10.1021/acsmedchemlett.0c00292
Elizabeth Farrant 1
Affiliation  

Since the 1990s, concerted attempts have been made to improve the efficiency of medicinal chemistry synthesis tasks using automation. Although impacts have been seen in some tasks, such as small array synthesis and reaction optimization, many synthesis tasks in medicinal chemistry are still manual. As it has been shown that synthesis technology has a large effect on the properties of the compounds being tested, this review looks at recent research in automation relevant to synthesis in medicinal chemistry. A common theme has been the integration of tasks, as well as the use of increased computing power to access complex automation platforms remotely and to improve synthesis planning software. However, there has been more limited progress in modular tools for the medicinal chemist with a focus on autonomy rather than automation.

中文翻译:

药物化学合成自动化:进展与挑战。

自 1990 年代以来,人们一直在努力使用自动化来提高药物化学合成任务的效率。尽管在一些任务中已经看到了影响,例如小阵列合成和反应优化,但药物化学中的许多合成任务仍然是手动的。由于已经表明合成技术对被测化合物的性质有很大影响,因此本综述着眼于最近与药物化学合成相关的自动化研究。一个共同的主题是任务的集成,以及使用增强的计算能力远程访问复杂的自动化平台和改进综合规划软件。然而,在专注于自主性而非自动化的药物化学家模块化工具方面的进展更为有限。
更新日期:2020-08-14
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