BigSMILES: A Structurally-Based Line Notation for Describing Macromolecules-Reference-Cited by-同舟云学术

BigSMILES: A Structurally-Based Line Notation for Describing Macromolecules

Published:2019-09-12 Issue:9 Volume:5 Page:1523-1531
ISSN:2374-7943
Container-title:ACS Central Science
language:en
Short-container-title:ACS Cent. Sci.

Author:

Lin Tzyy-Shyang,Coley Connor W.^ORCID,Mochigase Hidenobu,Beech Haley K.,Wang Wencong,Wang Zi¹,Woods Eliot²,Craig Stephen L.¹^ORCID,Johnson Jeremiah A.^ORCID,Kalow Julia A.²^ORCID,Jensen Klavs F.^ORCID,Olsen Bradley D.^ORCID

Affiliation:

1. Department of Chemistry, Duke University, Durham, North Carolina 27708, United States

2. Department of Chemistry, Northwestern University, Evanston, Illinois 60208, United States

Funder

Division of Chemistry

Furukawa Electric Co. Ltd.

Publisher

American Chemical Society (ACS)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.acs.org/doi/pdf/10.1021/acscentsci.9b00476

Reference38 articles.

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3. Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules

4. Kramer, S.; DeRaedt, L.; Helma, C. In Molecular Feature Mining in HIV Data, Proceedings of the seventh ACM SIGKDD international conference on Knowledge discovery and data mining; 2001; pp 136–143.

5. SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules

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