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....
Main Authors: | Lin, Tzyy-Shyang, Coley, Connor Wilson, Mochigase, Hidenobu, Beech, Haley K., Wang, Wencong, Wang, Zi, Woods, Eliot, Craig, Stephen L., Johnson, Jeremiah A., Kalow, Julia A., Jensen, Klavs F, Olsen, Bradley D |
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Other Authors: | Massachusetts Institute of Technology. Department of Chemical Engineering |
Format: | Article |
Language: | English |
Published: |
American Chemical Society (ACS)
2020
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Online Access: | https://hdl.handle.net/1721.1/125663 |
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