Efficient Syntheses of Diverse, Medicinally Relevant Targets Planned by Computer and Executed in the Laboratory
Efficient Syntheses of Diverse, Medicinally Relevant Targets Planned by Computer and Executed in the Laboratory
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DOI：
10.1016/j.chempr.2018.02.002
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发表时间：
2018-03-08
期刊：
影响因子：
23.5
通讯作者：
Grzybowski, Bartosz A.
中科院分区：
文献类型：
--
作者：
Klucznik, Tomasz;Mikulak-Klucznik, Barbara;Grzybowski, Bartosz A.
Chematica程序用于自主设计合成途径，以达到8种结构多样的目标，包括7种具有商业价值的生物活性物质和1种天然产物。所有这些计算机规划的路线都在实验室中成功执行，与以前的方法相比，显著提高了产量，节省了成本，为专利路线提供了替代方案，或者产生了以前没有合成过的目标。
The Chematica program was used to autonomously design synthetic pathways to eight structurally diverse targets, including seven commercially valuable bioactive substances and one natural product. All of these computer-planned routes were successfully executed in the laboratory and offer significant yield improvements and cost savings over previous approaches, provide alternatives to patented routes, or produce targets that were not synthesized previously.