Universal Chemical Synthesis and Discovery with 'The Chemputer'

被引:93
作者
Gromski, Piotr S. [1 ]
Granda, Jaroslaw M. [1 ]
Cronin, Leroy [1 ]
机构
[1] Univ Glasgow, Sch Chem, WestCHEM, Glasgow G12 8QQ, Lanark, Scotland
基金
英国工程与自然科学研究理事会;
关键词
ORGANIC-SYNTHESIS; CHEMOMETRICS; PLATFORM; HISTORY; SYSTEM; SPACE; ROBOT;
D O I
10.1016/j.trechm.2019.07.004
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
There is a growing drive in the chemistry community to exploit rapidly growing robotic technologies along with artificial intelligence-based approaches. Applying this to chemistry requires a holistic approach to chemical synthesis design and execution. Here, we outline a universal approach to this problem beginning with an abstract representation of the practice of chemical synthesis that then informs the programming and automation required for its practical realization. Using this foundation to construct closed-loop robotic chemical search engines, we can generate new discoveries that may be verified, optimized, and repeated entirely automatically. These robots can perform chemical reactions and analyses much faster than can be done manually. As such, this leads to a road map whereby molecules can be discovered, optimized, and made on demand from a digital code.
引用
收藏
页码:4 / 12
页数:9
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