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Royal Society of Chemistry, Chemical Science, 41(13), p. 12045-12055, 2022

DOI: 10.1039/d2sc02257e

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Extending BigSMILES to non-covalent bonds in supramolecular polymer assemblies

Journal article published in 2022 by Weizhong Zou ORCID, Alexis Martell Monterroza, Alexis Martell Monterroza, Yunxin Yao, S. Cem Millik, Morgan M. Cencer ORCID, Nathan J. Rebello ORCID, Haley K. Beech, Melody A. Morris ORCID, Tzyy-Shyang Lin, Julia A. Kalow ORCID, Cleotilde S. Castano, Stephen L. Craig ORCID, Alshakim Nelson ORCID, Jeffrey S. Moore ORCID and other authors.
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

Non-covalent BigSMILES enables the representation of donor/acceptor interactions and delocalized bonds for polymer assemblies.