Simplified Molecular Input Line Entry System: Difference between revisions

Revision as of 05:43, 21 December 2019

Revision as of 14:42, 9 January 2020

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* {{cite book |year=1987| title= SMILES: A line notation and computerized interpreter for chemical structures |id=Report No. EPA/600/M-87/021 |publisher= U.S. EPA, Environmental Research Laboratory-Duluth |___location=Duluth, MN |last1=Anderson |first1=E. |last2=Veith |first2=G. D. |last3=Weininger |first3=D. |ref=harv | name-list-format = vanc }}

* {{cite book |last=Helson |first=H. E. |year=1999 |chapter=Structure Diagram Generation |title= Rev. Comput. Chem. |editor1-last=Lipkowitz |editor1-first=K. B. |editor2-last=Boyd |editor2-first=D. B. |___location=New York |pages=313–398 |publisher=Wiley-VCH |doi=10.1002/9780470125908.ch6 |volume=13 |ref=harv | name-list-format = vanc }}

* {{cite journal| last1=Weininger| first1=David| title=SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules| journal=Journal of Chemical Information and ModelingComputer Sciences| volume=28| issue= 1|pages=31–6|date=February 1988|doi=10.1021/ci00057a005 |ref=harv | name-list-format = vanc}}

* {{cite journal| last1=Weininger| first1=David| last2=Weininger| first2=Arthur| last3=Weininger| first3=Joseph L.| title=SMILES. 2. Algorithm for generation of unique SMILES notation| journal=Journal of Chemical Information and Modeling| volume=29| issue=2| pages=97–101|date=May 1989|doi=10.1021/ci00062a008 |ref=harv | name-list-format = vanc }}

* {{cite journal| last1=Weininger| first1=David| title=SMILES. 3. DEPICT. Graphical depiction of chemical structures| journal=Journal of Chemical Information and Modeling| volume=30| issue= 3|pages=237–43|date=August 1990|doi=10.1021/ci00067a005 |ref=harv | name-list-format = vanc}}