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Digital Reticular Chemistry
Chem ( IF 23.5 ) Pub Date : 2020-09-03 , DOI: 10.1016/j.chempr.2020.08.008
Hao Lyu , Zhe Ji , Stefan Wuttke , Omar M. Yaghi

Reticular chemistry operates in an infinite space of compositions, structures, properties, and applications. Although great progress has been made in exploring this space through the development of metal-organic frameworks and covalent organic frameworks, there remains a gap between what we foresee as being possible and what can actually be accomplished with the current tools and methods. The establishment of digital reticular chemistry, where digital tools are deployed, in particular laboratory robotics and artificial intelligence, will fundamentally change the current workflow to enable discovery of this untapped chemical space and to go beyond the limits of human capacity. In so doing, long-standing challenges in reticular chemistry can finally be addressed faster and better, and more significantly, new questions, unimagined before digitization, can be articulated. The interface between human and “machine” is an integral part of this endeavor and one whose quality is critical to uncovering science transcending intellectual and physical borders.



中文翻译:

数字网状化学

网状化学在组成,结构,特性和应用的无限空间中运作。尽管通过开发金属有机框架和共价有机框架在探索该空间方面已取得了巨大进展,但在我们认为可能的范围和使用当前工具和方法可以实际完成的范围之间仍然存在差距。数字网状化学的建立,将在其中部署数字工具,尤其是实验室机器人技术和人工智能,将从根本上改变当前的工作流程,以发现未开发的化学空间并超越人类的能力极限。这样做最终可以更快,更好地解决网状化学的长期挑战,更重要的是,可以解决数字化之前无法想象的新问题,可以清晰表达。人与“机器”之间的界面是这一努力不可或缺的一部分,其质量对于发现超越知识和物理界限的科学至关重要。

更新日期:2020-09-10
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