BigSMILES: A Structurally-Based Line Notation for Describing Macromolecules

BigSMILES: A Structurally-Based Line Notation for Describing Macromolecules

Having a compact yet robust structurally based identifier or representation system is a key enabling factor for efficient sharing and dissemination of research results within the chemistry community, and such systems lay down the essential foundations for future informatics and data-driven research....

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Main Authors: Lin, Tzyy-Shyang (Author), Coley, Connor Wilson (Author), Mochigase, Hidenobu (Author), Beech, Haley K. (Author), Wang, Wencong (Author), Wang, Zi (Author), Woods, Eliot (Author), Craig, Stephen L. (Author), Johnson, Jeremiah A. (Author), Kalow, Julia A. (Author), Jensen, Klavs F (Author), Olsen, Bradley D (Author)
Other Authors: Massachusetts Institute of Technology. Department of Chemical Engineering (Contributor), Massachusetts Institute of Technology. Department of Chemistry (Contributor)
Format: Article
Language:English
Published: American Chemical Society (ACS), 2020-06-03T18:53:51Z.
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