Special Topic: AI for Chemistry
Open Access
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Figure 4

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Illustrations depict various innovations in the field of automated chemical synthesis and robotics. (A) A standalone plastic reactor facility has been developed for producing fine chemicals and pharmaceuticals [40]. Copyright©2019, American Association for the Advancement of Science. This facility was designed using a chemistry-to-computer automated design (ChemCAD) approach, which converts conventional lab-scale synthesis into a universally compatible digital code. (B) A scalable chemistry execution architecture has been devised that can autonomously populate itself by scanning academic literature, leading to a universally applicable autonomous workflow [43]. Copyright©2020, American Association for the Advancement of Science. The resultant robot-generated code is human-readable and does not require any programming expertise to correct. It also transcends specific hardware due to the standardization. (C), (D) ChemPU is an automated chemical reaction database that houses codes for 100 distinct reactions prevalent in modern organic synthesis [44]. Copyright©2022, American Association for the Advancement of Science. It features a variety of reactions such as transition metal-catalyzed coupling, heterocycle formation, functional group interconversions, and multicomponent reactions. The codes, known as χDL, are stored in a database that allows version control, validation, collaboration, and data mining.

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