CurlySMILES: a chemical language to customize and annotate encodings of molecular and nanodevice structures-Reference-Cited by-同舟云学术

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CurlySMILES: a chemical language to customize and annotate encodings of molecular and nanodevice structures

Published:2011-01-07 Issue:1 Volume:3 Page:
ISSN:1758-2946
Container-title:Journal of Cheminformatics
language:en
Short-container-title:J Cheminform

Author:

Drefahl Axel

Publisher

Springer Science and Business Media LLC

Subject

Library and Information Sciences,Computer Graphics and Computer-Aided Design,Physical and Theoretical Chemistry,Computer Science Applications

Link

http://link.springer.com/content/pdf/10.1186/1758-2946-3-1.pdf

Reference25 articles.

1. Weininger D: SMILES, a Chemical Language and Information System. 1. Introduction to Methodology and Encoding Rules. J Chem Inf Comput Sci. 1988, 28: 31-36.

2. SMILES line notation. [ http://www.eyesopen.com/docs/docs-v1.7.0-2/html/OEChemTK-python/SMILES.html ]

3. OpenSMILES Specification. [ http://www.opensmiles.org/ ]

4. Weininger D, Weininger A, Weininger JL: SMILES. 2. Algorithm for Generation of Unique SMILES Notation. J Chem Inf Comput Sci. 1989, 29: 97-101.

5. Reinhard M, Drefahl A: Handbook for Estimating Physicochemical Properties of Organic Compounds. 1999, New York: Wiley & Sons

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