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High‐Throughput Approaches for the Discovery of Supramolecular Organic Cages
Author(s) -
Greenaway Rebecca L.,
Jelfs Kim E.
Publication year - 2020
Publication title -
chempluschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.801
H-Index - 61
ISSN - 2192-6506
DOI - 10.1002/cplu.202000445
Subject(s) - supramolecular chemistry , nanotechnology , throughput , computer science , workflow , intuition , business process discovery , biochemical engineering , chemistry , materials science , molecule , work in process , engineering , organic chemistry , telecommunications , philosophy , operations management , epistemology , business process modeling , database , wireless , business process
The assembly of complex molecules, such as organic cages, can be achieved through supramolecular and dynamic covalent strategies. Their use in a range of applications has been demonstrated, including gas uptake, molecular separations, and in catalysis. However, the targeted design and synthesis of new species for particular applications is challenging, particularly as the systems become more complex. High‐throughput computation‐only and experiment‐only approaches have been developed to streamline the discovery process, although are still not widely implemented. Additionally, combined hybrid workflows can dramatically accelerate the discovery process and lead to the serendipitous discovery and rationalisation of new supramolecular assemblies that would not have been designed based on intuition alone. This Minireview focuses on the advances in high‐throughput approaches that have been developed and applied in the discovery of supramolecular organic cages.