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一种用于化学合成文献数字化和自动执行的通用系统。

A universal system for digitization and automatic execution of the chemical synthesis literature.

机构信息

School of Chemistry, University of Glasgow, Glasgow G12 8QQ, UK.

出版信息

Science. 2020 Oct 2;370(6512):101-108. doi: 10.1126/science.abc2986.

Abstract

Robotic systems for chemical synthesis are growing in popularity but can be difficult to run and maintain because of the lack of a standard operating system or capacity for direct access to the literature through natural language processing. Here we show an extendable chemical execution architecture that can be populated by automatically reading the literature, leading to a universal autonomous workflow. The robotic synthesis code can be corrected in natural language without any programming knowledge and, because of the standard, is hardware independent. This chemical code can then be combined with a graph describing the hardware modules and compiled into platform-specific, low-level robotic instructions for execution. We showcase automated syntheses of 12 compounds from the literature, including the analgesic lidocaine, the Dess-Martin periodinane oxidation reagent, and the fluorinating agent AlkylFluor.

摘要

机器人化学合成系统越来越受欢迎,但由于缺乏标准操作系统或直接通过自然语言处理访问文献的能力,它们的运行和维护可能会比较困难。在这里,我们展示了一种可扩展的化学执行架构,它可以通过自动读取文献来填充,从而实现通用的自主工作流程。机器人合成代码可以用自然语言进行修正,而无需任何编程知识,并且由于采用了标准,因此与硬件无关。然后,可以将这个化学代码与描述硬件模块的图组合起来,并编译成特定于平台的、低级别的机器人指令,以执行合成。我们展示了从文献中自动合成的 12 种化合物,包括镇痛药利多卡因、Dess-Martin 过碘烷氧化试剂和氟化剂 AlkylFluor。

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