Canonicalizing BigSMILES for Polymers with Defined Backbones-Reference-Cited by-同舟云学术

Canonicalizing BigSMILES for Polymers with Defined Backbones

Published:2022-10-14 Issue:6 Volume:2 Page:486-500
ISSN:2694-2453
Container-title:ACS Polymers Au
language:en
Short-container-title:ACS Polym. Au

Author:

Lin Tzyy-Shyang¹^ORCID,Rebello Nathan J.¹^ORCID,Lee Guang-He²,Morris Melody A.¹^ORCID,Olsen Bradley D.¹^ORCID

Affiliation:

1. Department of Chemical Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts02139, United States

2. Computer Science and Artificial Intelligence Laboratory, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts02139, United States

Funder

Division of Chemistry

Publisher

American Chemical Society (ACS)

Subject

General Medicine

Link

https://pubs.acs.org/doi/pdf/10.1021/acspolymersau.2c00009

Reference53 articles.

1. SYBYL Line Notation (SLN): A Versatile Language for Chemical Structure Representation

2. Modular Chemical Descriptor Language (MCDL): Composition, Connectivity, and Supplementary Modules

3. InChI - the worldwide chemical structure identifier standard

4. Wiswesser line notation: an introduction

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

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