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Main Title SMILES, a line notation and computerized interpreter for chemical structures /
Author Anderson, Eric, ; Veith, G. D. ; Weininger, D.
Other Authors
Author Title of a Work
Veith, Gilman D.
Weininger, David.
CORP Author Environmental Research Lab.-Duluth, MN. ;Computer Sciences Corp., Falls Church, VA.
Publisher U.S. Environmental Protection Agency, Environmental Research Laboratory,
Year Published 1987
Report Number EPA/600-M-87-021
Stock Number PB88-130034
OCLC Number 20862752
Subjects Chemical structure--Computer programs
Additional Subjects Computer graphics ; Molecular structure ; Computer techniques ; Chemical structures ; SMILES ; Line notations
Internet Access
Description Access URL
https://nepis.epa.gov/Exe/ZyPDF.cgi?Dockey=2000CAUR.PDF
Holdings
Library Call Number Additional Info Location Last
Modified
Checkout
Status
EHAM  EPA/600/M-87/021 Region 1 Library/Boston,MA 05/25/2016
EJAD  EPA 600/M-87-021 Region 3 Library/Philadelphia, PA 03/20/1992
EJBD ARCHIVE EPA 600-M-87-021 In Binder Headquarters Library/Washington,DC 02/15/2017
EJBD  EPA 600-M-87-021 c.1-2 Headquarters Library/Washington,DC 11/01/2013
EKBD  EPA-600/M-87-021 Research Triangle Park Library/RTP, NC 08/23/2010
ELBD RPS EPA 600-M-87-021 repository copy AWBERC Library/Cincinnati,OH 10/17/2014
NTIS  PB88-130034 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation 4 pages : illustrations ; 28 cm.
Abstract A line notation syntax and software interpreter for specifying chemical structures on small and large computers is presented. The Simplified Molecular Identification and Line Entry System, SMILES, contains the advantages of line notations for specifying structures but avoids the complexity of rules found in notations such as WLN. By encoding many chemical 'rules' into the interpreter, SMILES can be used to define molecular topology with five simple conventions.
Notes "August 1987." Includes bibliographical references (page 4). "EPA/600-M-87-021."
Place Published Duluth, MN
Supplementary Notes Prepared in cooperation with Computer Sciences Corp., Falls Church, VA.
Access Notes Also available online. Location last verified 07/29/10.
Corporate Au Added Ent Environmental Research Laboratory (Duluth, Minn.)
Title Ser Add Ent Environmental research brief.
PUB Date Free Form 1987
Series Title Traced Environmental research brief
Series Title Untraced Environmental research brief
NTIS Prices PC A02/MF A01
BIB Level m
Medium unmediated
Content text
Carrier volume
Cataloging Source OCLC/T
OCLC Time Stamp 20160419144217
Language eng
SUDOCS Number EP 1.96:600/M-87/021
Origin OCLC
Type CAT
OCLC Rec Leader 01256cam 2200349Ia 45020